2-ethyl-2-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid

C16H20N2O3 — CID 79814346

IUPAC2-ethyl-2-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid
SMILESCCC(CC)(NC(=O)c1c(C)[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C16H20N2O3/c1-4-16(5-2,15(20)21)18-14(19)13-10(3)17-12-9-7-6-8-11(12)13/h6-9,17H,4-5H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyVEYSWZKNSCVERJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.85
Rot. Bonds5

About 2-ethyl-2-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid

2-ethyl-2-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid (PubChem CID 79814346) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-ethyl-2-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid
PubChem CID79814346
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-ethyl-2-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid
SMILESCCC(CC)(NC(=O)c1c(C)[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C16H20N2O3/c1-4-16(5-2,15(20)21)18-14(19)13-10(3)17-12-9-7-6-8-11(12)13/h6-9,17H,4-5H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyVEYSWZKNSCVERJ-UHFFFAOYSA-N
XLogP2.85
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
N-(2-hydroxy-2-phenylpropyl)-2-methyl-1H-indole-3-carboxamide
CID 111825055
2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid
CID 63930965
2-methyl-N-phenylmethoxy-1H-indole-3-carboxamide
CID 32579620
2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide
CID 24676897
N-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide
CID 110001950
3-[[(2-methyl-1H-indole-3-carbonyl)amino]methyl]pentanoic acid
CID 81066281
(2S)-2-chloro-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 2405282
N-(cyclopropylmethyl)-2-methyl-1H-indole-3-carboxamide
CID 34829550
N-(2-bromoprop-2-enyl)-2-methyl-1H-indole-3-carboxamide
CID 47438912
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
3-methyl-4-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid
CID 81063960

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid (CID 79814346) is 2-ethyl-2-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid is CCC(CC)(NC(=O)c1c(C)[nH]c2ccccc12)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid?
The InChIKey is VEYSWZKNSCVERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-16(5-2,15(20)21)18-14(19)13-10(3)17-12-9-7-6-8-11(12)13/h6-9,17H,4-5H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 2-ethyl-2-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid?
2-ethyl-2-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid has a molecular weight of 288.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 79814346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).