2-[2-[(1,5-dimethylindole-2-carbonyl)amino]propanoylamino]acetic acid

C16H19N3O4 — CID 4967330

IUPAC2-[2-[(1,5-dimethylindole-2-carbonyl)amino]propanoylamino]acetic acid
SMILESCc1ccc2c(c1)cc(C(=O)NC(C)C(=O)NCC(=O)O)n2C
InChIInChI=1S/C16H19N3O4/c1-9-4-5-12-11(6-9)7-13(19(12)3)16(23)18-10(2)15(22)17-8-14(20)21/h4-7,10H,8H2,1-3H3,(H,17,22)(H,18,23)(H,20,21)
InChIKeyZPZPWAHCRURRQD-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.81
Rot. Bonds5

About 2-[2-[(1,5-dimethylindole-2-carbonyl)amino]propanoylamino]acetic acid

2-[2-[(1,5-dimethylindole-2-carbonyl)amino]propanoylamino]acetic acid (PubChem CID 4967330) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[2-[(1,5-dimethylindole-2-carbonyl)amino]propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[(1,5-dimethylindole-2-carbonyl)amino]propanoylamino]acetic acid
PubChem CID4967330
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-[2-[(1,5-dimethylindole-2-carbonyl)amino]propanoylamino]acetic acid
SMILESCc1ccc2c(c1)cc(C(=O)NC(C)C(=O)NCC(=O)O)n2C
InChIInChI=1S/C16H19N3O4/c1-9-4-5-12-11(6-9)7-13(19(12)3)16(23)18-10(2)15(22)17-8-14(20)21/h4-7,10H,8H2,1-3H3,(H,17,22)(H,18,23)(H,20,21)
InChIKeyZPZPWAHCRURRQD-UHFFFAOYSA-N
XLogP0.81
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(1,5-dimethylindole-2-carbonyl)amino]propanoylamino]acetic 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-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]propanoyl]amino]acetic acid
CID 7070087
3-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methylpentanoyl]amino]propanoic acid
CID 4966647
2-[[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]acetic acid
CID 4837910
(2S)-2-[(1,6-dimethylindole-2-carbonyl)amino]propanoic acid
CID 110835848
2-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methylbutanoyl]amino]-3-methylpentanoic acid
CID 4838501
2-[[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid
CID 4908213
(2S,3S)-2-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]propanoyl]amino]-3-methylpentanoic acid
CID 25427466
N-butyl-1,5-dimethylindole-2-carboxamide
CID 7329072
1,5-dimethyl-N-(4-methylphenyl)indole-2-carboxamide
CID 7329101
2-[2-[(5-chloro-1-methylindole-2-carbonyl)amino]propanoylamino]-3-methylbutanoic acid
CID 4839787
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-1-methylindole-2-carboxamide
CID 42537191
(2S)-2-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]propanoyl]amino]-4-methylpentanoate
CID 7070152

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1,5-dimethylindole-2-carbonyl)amino]propanoylamino]acetic acid?
The IUPAC name of 2-[2-[(1,5-dimethylindole-2-carbonyl)amino]propanoylamino]acetic acid (CID 4967330) is 2-[2-[(1,5-dimethylindole-2-carbonyl)amino]propanoylamino]acetic acid.
What is the SMILES notation for 2-[2-[(1,5-dimethylindole-2-carbonyl)amino]propanoylamino]acetic acid?
The canonical SMILES for 2-[2-[(1,5-dimethylindole-2-carbonyl)amino]propanoylamino]acetic acid is Cc1ccc2c(c1)cc(C(=O)NC(C)C(=O)NCC(=O)O)n2C.
What is the InChIKey of 2-[2-[(1,5-dimethylindole-2-carbonyl)amino]propanoylamino]acetic acid?
The InChIKey is ZPZPWAHCRURRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-9-4-5-12-11(6-9)7-13(19(12)3)16(23)18-10(2)15(22)17-8-14(20)21/h4-7,10H,8H2,1-3H3,(H,17,22)(H,18,23)(H,20,21).
What are the key properties of 2-[2-[(1,5-dimethylindole-2-carbonyl)amino]propanoylamino]acetic acid?
2-[2-[(1,5-dimethylindole-2-carbonyl)amino]propanoylamino]acetic acid has a molecular weight of 317.35 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1,5-dimethylindole-2-carbonyl)amino]propanoylamino]acetic acid is sourced from PubChem (CID 4967330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).