2-methyl-3-[(7-methyl-1H-indole-2-carbonyl)amino]propanoic acid

C14H16N2O3 — CID 110834914

IUPAC2-methyl-3-[(7-methyl-1H-indole-2-carbonyl)amino]propanoic acid
SMILESCc1cccc2cc(C(=O)NCC(C)C(=O)O)[nH]c12
InChIInChI=1S/C14H16N2O3/c1-8-4-3-5-10-6-11(16-12(8)10)13(17)15-7-9(2)14(18)19/h3-6,9,16H,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyBKULDFFELXBMMH-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.93
Rot. Bonds4

About 2-methyl-3-[(7-methyl-1H-indole-2-carbonyl)amino]propanoic acid

2-methyl-3-[(7-methyl-1H-indole-2-carbonyl)amino]propanoic acid (PubChem CID 110834914) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-methyl-3-[(7-methyl-1H-indole-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(7-methyl-1H-indole-2-carbonyl)amino]propanoic acid
PubChem CID110834914
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-methyl-3-[(7-methyl-1H-indole-2-carbonyl)amino]propanoic acid
SMILESCc1cccc2cc(C(=O)NCC(C)C(=O)O)[nH]c12
InChIInChI=1S/C14H16N2O3/c1-8-4-3-5-10-6-11(16-12(8)10)13(17)15-7-9(2)14(18)19/h3-6,9,16H,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyBKULDFFELXBMMH-UHFFFAOYSA-N
XLogP1.93
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(7-methyl-1H-indole-2-carbonyl)amino]butanedioic acid
CID 170158987
7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 110848308
2-methyl-3-[(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 71915499
7-methyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 110852008
(7-methyl-1H-indol-2-yl)-phenylmethanone
CID 13184984
(2S)-2-[(7-fluoro-1H-indole-2-carbonyl)amino]propanoic acid
CID 110835870
ethyl 7-methyl-1H-indole-2-carboxylate
CID 1235155
3-(4-cyanophenyl)-3-[(7-methyl-1H-indole-2-carbonyl)amino]propanoic acid
CID 170159723
(2S)-2-methyl-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid
CID 94540901
7-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1H-indole-2-carboxamide
CID 110865435
7-chloro-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 108804029
3-methyl-4-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]butanoic acid
CID 81064080

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(7-methyl-1H-indole-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(7-methyl-1H-indole-2-carbonyl)amino]propanoic acid (CID 110834914) is 2-methyl-3-[(7-methyl-1H-indole-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(7-methyl-1H-indole-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(7-methyl-1H-indole-2-carbonyl)amino]propanoic acid is Cc1cccc2cc(C(=O)NCC(C)C(=O)O)[nH]c12.
What is the InChIKey of 2-methyl-3-[(7-methyl-1H-indole-2-carbonyl)amino]propanoic acid?
The InChIKey is BKULDFFELXBMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-4-3-5-10-6-11(16-12(8)10)13(17)15-7-9(2)14(18)19/h3-6,9,16H,7H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-methyl-3-[(7-methyl-1H-indole-2-carbonyl)amino]propanoic acid?
2-methyl-3-[(7-methyl-1H-indole-2-carbonyl)amino]propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(7-methyl-1H-indole-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 110834914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).