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Phenylalanylglycine | SBID = 1640 | Compound |
Structure
Molecular Properties
Interactions: |
3
|
PubChem TPSA/Å2: |
92.4 |
Ertl TPSA/Å2: |
|
Hydrophilicity (PubChem XLogP): |
-2.5 |
Hydrophilicity (Cheng XLogP3): |
|
Charge: |
0.0 |
Number of H-Bond Donors: |
3.0 |
Number of H-Bond Acceptors: |
4.0 |
Number of Stereogenic Bonds (E/Z): |
0.0 |
Number of Stereogenic Atoms (R/S): |
1.0 |
3D Volume/Å3: |
173.1 |
Sum Formula: |
C11H14N2O3 |
M / g/mol: |
222.24 |
Complexity: |
250.0 |
Number of Conformers: |
10.0 |
Identifiers
-
Tags:
aromatic, amino acid, typical guest
-
Name:
Phenylalanylglycine
-
Preferred Abbreviation:
L-Phe-Gly
-
IUPAC Name:
2-[(2-amino-3-phenylpropanoyl)amino]acetic acid
-
CAS:
721-90-4
-
CID:
98207
-
InChiKey:
GLUBLISJVJFHQS-UHFFFAOYSA-N
-
InChi:
InChI=1S/C11H14N2O3/c12-9(11(16)13-7-10(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)
-
CanoSmiles:
C1=CC=C(C=C1)CC(C(=O)NCC(=O)O)N
-
IsoSmiles:
C1=CC=C(C=C1)CC(C(=O)NCC(=O)O)N