(2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoic acid

C11H14N2O4 — CID 2756313

IUPAC(2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoic acid
SMILESNC[C@H](NC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C11H14N2O4/c12-6-9(10(14)15)13-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1
InChIKeyFOXRXVSTFGNURG-VIFPVBQESA-N
MW238.24 g/mol
LogP0.32
Rot. Bonds5

About (2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoic acid

(2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoic acid (PubChem CID 2756313) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoic acid
PubChem CID2756313
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoic acid
SMILESNC[C@H](NC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C11H14N2O4/c12-6-9(10(14)15)13-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1
InChIKeyFOXRXVSTFGNURG-VIFPVBQESA-N
XLogP0.32
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoic acid?
The IUPAC name of (2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoic acid (CID 2756313) is (2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for (2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for (2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoic acid is NC[C@H](NC(=O)OCc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoic acid?
The InChIKey is FOXRXVSTFGNURG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2O4/c12-6-9(10(14)15)13-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoic acid?
(2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoic acid has a molecular weight of 238.24 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 2756313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).