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5-aminopentanoate | SBID = 1490 | Compound |
Structure
Molecular Properties
Interactions: |
1
|
PubChem TPSA/Å2: |
67.8 |
Ertl TPSA/Å2: |
|
Hydrophilicity (PubChem XLogP): |
-2.0 |
Hydrophilicity (Cheng XLogP3): |
|
Charge: |
0.0 |
Number of H-Bond Donors: |
1.0 |
Number of H-Bond Acceptors: |
2.0 |
Number of Stereogenic Bonds (E/Z): |
0.0 |
Number of Stereogenic Atoms (R/S): |
0.0 |
3D Volume/Å3: |
94.8 |
Sum Formula: |
C5H11NO2 |
M / g/mol: |
117.15 |
Complexity: |
67.0 |
Number of Conformers: |
10.0 |
Identifiers
-
Tags:
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Name:
5-aminopentanoate
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Preferred Abbreviation:
5-aminopentanoate
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IUPAC Name:
5-azaniumylpentanoate
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CAS:
660-88-8
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CID:
6992101
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InChiKey:
JJMDCOVWQOJGCB-UHFFFAOYSA-N
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InChi:
InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)
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CanoSmiles:
C(CC[NH3+])CC(=O)[O-]
-
IsoSmiles:
C(CC[NH3+])CC(=O)[O-]