2-[(2-aminoacetyl)-[(3-methylphenyl)carbamoyl]amino]propanoic acid

C13H17N3O4 — CID 170308811

IUPAC2-[(2-aminoacetyl)-[(3-methylphenyl)carbamoyl]amino]propanoic acid
SMILESCc1cccc(NC(=O)N(C(=O)CN)C(C)C(=O)O)c1
InChIInChI=1S/C13H17N3O4/c1-8-4-3-5-10(6-8)15-13(20)16(11(17)7-14)9(2)12(18)19/h3-6,9H,7,14H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyDUUIYFFONXTNJB-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.79
Rot. Bonds4

About 2-[(2-aminoacetyl)-[(3-methylphenyl)carbamoyl]amino]propanoic acid

2-[(2-aminoacetyl)-[(3-methylphenyl)carbamoyl]amino]propanoic acid (PubChem CID 170308811) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)-[(3-methylphenyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)-[(3-methylphenyl)carbamoyl]amino]propanoic acid
PubChem CID170308811
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[(2-aminoacetyl)-[(3-methylphenyl)carbamoyl]amino]propanoic acid
SMILESCc1cccc(NC(=O)N(C(=O)CN)C(C)C(=O)O)c1
InChIInChI=1S/C13H17N3O4/c1-8-4-3-5-10(6-8)15-13(20)16(11(17)7-14)9(2)12(18)19/h3-6,9H,7,14H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyDUUIYFFONXTNJB-UHFFFAOYSA-N
XLogP0.79
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2-aminoacetyl)-[(3-methylphenyl)carbamoyl]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

1-(4-aminobutan-2-yl)-1-methyl-3-(3-methylphenyl)urea
CID 55174910
2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467219
1-(3-aminopropyl)-3-(3-methylphenyl)-1-propan-2-ylurea
CID 43137073
1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea
CID 61350070
1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea
CID 51295493
2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)propanoic acid
CID 19754797
(2S)-2-(3-methylanilino)propanoic acid
CID 7148356
1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea
CID 61348548
3-hydroxy-N-(3-methylphenyl)butanamide
CID 16769880
4-amino-2-methyl-N-(3-methylphenyl)butanamide
CID 80542067
ethyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetate
CID 47406124
1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea
CID 60921949

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)-[(3-methylphenyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-[(2-aminoacetyl)-[(3-methylphenyl)carbamoyl]amino]propanoic acid (CID 170308811) is 2-[(2-aminoacetyl)-[(3-methylphenyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)-[(3-methylphenyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-[(2-aminoacetyl)-[(3-methylphenyl)carbamoyl]amino]propanoic acid is Cc1cccc(NC(=O)N(C(=O)CN)C(C)C(=O)O)c1.
What is the InChIKey of 2-[(2-aminoacetyl)-[(3-methylphenyl)carbamoyl]amino]propanoic acid?
The InChIKey is DUUIYFFONXTNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-8-4-3-5-10(6-8)15-13(20)16(11(17)7-14)9(2)12(18)19/h3-6,9H,7,14H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2-[(2-aminoacetyl)-[(3-methylphenyl)carbamoyl]amino]propanoic acid?
2-[(2-aminoacetyl)-[(3-methylphenyl)carbamoyl]amino]propanoic acid has a molecular weight of 279.30 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)-[(3-methylphenyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 170308811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).