[4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl formate

C11H14N2O3 — CID 155030194

IUPAC[4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl formate
SMILESC[C@H](N)C(=O)Nc1ccc(COC=O)cc1
InChIInChI=1S/C11H14N2O3/c1-8(12)11(15)13-10-4-2-9(3-5-10)6-16-7-14/h2-5,7-8H,6,12H2,1H3,(H,13,15)/t8-/m0/s1
InChIKeyYWHGCPHLXVNZRD-QMMMGPOBSA-N
MW222.24 g/mol
LogP0.65
Rot. Bonds5

About [4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl formate

[4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl formate (PubChem CID 155030194) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is [4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl formate.

Molecular Properties

Compound Name[4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl formate
PubChem CID155030194
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name[4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl formate
SMILESC[C@H](N)C(=O)Nc1ccc(COC=O)cc1
InChIInChI=1S/C11H14N2O3/c1-8(12)11(15)13-10-4-2-9(3-5-10)6-16-7-14/h2-5,7-8H,6,12H2,1H3,(H,13,15)/t8-/m0/s1
InChIKeyYWHGCPHLXVNZRD-QMMMGPOBSA-N
XLogP0.65
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl formate with MolForge

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

Launch Full Analysis

Related Compounds

[4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl N-methylcarbamate
CID 166675608
(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide
CID 103691721
(2R)-2-amino-N-(4-hydroxyphenyl)propanamide
CID 78972563
[4-[[4-(methylamino)phenyl]methoxycarbonylamino]phenyl]methyl formate
CID 130458380
2-amino-N-(4-propylphenyl)propanamide
CID 43378686
(2S)-2-amino-N-[4-(cyclopentyloxymethyl)phenyl]propanamide
CID 119330095
(2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide
CID 22690589
(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide;methanol;molecular hydrogen
CID 142530006
(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide
CID 61146186
[4-[[2-[(2-amino-3-methylbutanoyl)amino]acetyl]amino]phenyl]methyl formate;propylurea
CID 176987623
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426
(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165

Frequently Asked Questions

What is the IUPAC name of [4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl formate?
The IUPAC name of [4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl formate (CID 155030194) is [4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl formate.
What is the SMILES notation for [4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl formate?
The canonical SMILES for [4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl formate is C[C@H](N)C(=O)Nc1ccc(COC=O)cc1.
What is the InChIKey of [4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl formate?
The InChIKey is YWHGCPHLXVNZRD-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(12)11(15)13-10-4-2-9(3-5-10)6-16-7-14/h2-5,7-8H,6,12H2,1H3,(H,13,15)/t8-/m0/s1.
What are the key properties of [4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl formate?
[4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl formate has a molecular weight of 222.24 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl formate is sourced from PubChem (CID 155030194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).