2-methoxy-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoic acid

C14H18N2O5 — CID 106108102

IUPAC2-methoxy-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoic acid
SMILESCOC(CNC(=O)CNC(=O)c1ccc(C)cc1)C(=O)O
InChIInChI=1S/C14H18N2O5/c1-9-3-5-10(6-4-9)13(18)16-8-12(17)15-7-11(21-2)14(19)20/h3-6,11H,7-8H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyVSENZFIYEQYEAO-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.06
Rot. Bonds7

About 2-methoxy-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoic acid

2-methoxy-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoic acid (PubChem CID 106108102) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-methoxy-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoic acid
PubChem CID106108102
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-methoxy-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoic acid
SMILESCOC(CNC(=O)CNC(=O)c1ccc(C)cc1)C(=O)O
InChIInChI=1S/C14H18N2O5/c1-9-3-5-10(6-4-9)13(18)16-8-12(17)15-7-11(21-2)14(19)20/h3-6,11H,7-8H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyVSENZFIYEQYEAO-UHFFFAOYSA-N
XLogP-0.06
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]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

Related Compounds

2-methoxy-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
CID 106108149
3-[(4-ethylbenzoyl)amino]-2-methoxypropanoic acid
CID 114144332
4-methyl-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400864
3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-methoxypropanoic acid
CID 106108103
(2S)-3-methyl-2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 54494581
benzhydryl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate
CID 4223105
3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 43360766
N-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 43389073
N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide
CID 17349905
4-amino-N-[2-(2-methoxypropylamino)-2-oxoethyl]benzamide
CID 102695091
(2S)-2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]pentanoic acid
CID 107563778
2-methoxy-3-[(4-prop-2-enoxybenzoyl)amino]propanoic acid
CID 106107483

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoic acid (CID 106108102) is 2-methoxy-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoic acid is COC(CNC(=O)CNC(=O)c1ccc(C)cc1)C(=O)O.
What is the InChIKey of 2-methoxy-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoic acid?
The InChIKey is VSENZFIYEQYEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-9-3-5-10(6-4-9)13(18)16-8-12(17)15-7-11(21-2)14(19)20/h3-6,11H,7-8H2,1-2H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-methoxy-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoic acid?
2-methoxy-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoic acid has a molecular weight of 294.31 g/mol, XLogP of -0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 106108102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).