4-[methyl-(1-methylindole-3-carbonyl)amino]butanoic acid

C15H18N2O3 — CID 43360106

IUPAC4-[methyl-(1-methylindole-3-carbonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C15H18N2O3/c1-16(9-5-8-14(18)19)15(20)12-10-17(2)13-7-4-3-6-11(12)13/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,18,19)
InChIKeyBWHJIMXOZVSMDF-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.12
Rot. Bonds5

About 4-[methyl-(1-methylindole-3-carbonyl)amino]butanoic acid

4-[methyl-(1-methylindole-3-carbonyl)amino]butanoic acid (PubChem CID 43360106) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[methyl-(1-methylindole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(1-methylindole-3-carbonyl)amino]butanoic acid
PubChem CID43360106
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-[methyl-(1-methylindole-3-carbonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C15H18N2O3/c1-16(9-5-8-14(18)19)15(20)12-10-17(2)13-7-4-3-6-11(12)13/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,18,19)
InChIKeyBWHJIMXOZVSMDF-UHFFFAOYSA-N
XLogP2.12
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,1-dimethylindole-3-carboxamide
CID 91797561
2-[carboxymethyl-(1-methylindole-3-carbonyl)amino]acetic acid
CID 63650839
1-methyl-N,N-dipropylindole-3-carboxamide
CID 110762474
4-[(2-chlorobenzoyl)-methylamino]butanoic acid
CID 43090074
N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide
CID 113205582
1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione
CID 153181750
6-(1-methylindol-3-yl)heptanoic acid
CID 112512728
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid
CID 43090429
N-[(2S)-1-amino-3-methylbutan-2-yl]-N,1-dimethylindole-3-carboxamide
CID 118928461
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
1-methylindole-3-carbothioic S-acid
CID 116918837

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(1-methylindole-3-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(1-methylindole-3-carbonyl)amino]butanoic acid (CID 43360106) is 4-[methyl-(1-methylindole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(1-methylindole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(1-methylindole-3-carbonyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)c1cn(C)c2ccccc12.
What is the InChIKey of 4-[methyl-(1-methylindole-3-carbonyl)amino]butanoic acid?
The InChIKey is BWHJIMXOZVSMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-16(9-5-8-14(18)19)15(20)12-10-17(2)13-7-4-3-6-11(12)13/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,18,19).
What are the key properties of 4-[methyl-(1-methylindole-3-carbonyl)amino]butanoic acid?
4-[methyl-(1-methylindole-3-carbonyl)amino]butanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(1-methylindole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43360106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).