2-[(2-methyl-1H-indole-3-carbonyl)-propylamino]acetic acid

C15H18N2O3 — CID 61007359

IUPAC2-[(2-methyl-1H-indole-3-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C15H18N2O3/c1-3-8-17(9-13(18)19)15(20)14-10(2)16-12-7-5-4-6-11(12)14/h4-7,16H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyNHSOZJWQNQGDPF-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.41
Rot. Bonds5

About 2-[(2-methyl-1H-indole-3-carbonyl)-propylamino]acetic acid

2-[(2-methyl-1H-indole-3-carbonyl)-propylamino]acetic acid (PubChem CID 61007359) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(2-methyl-1H-indole-3-carbonyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methyl-1H-indole-3-carbonyl)-propylamino]acetic acid
PubChem CID61007359
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[(2-methyl-1H-indole-3-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C15H18N2O3/c1-3-8-17(9-13(18)19)15(20)14-10(2)16-12-7-5-4-6-11(12)14/h4-7,16H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyNHSOZJWQNQGDPF-UHFFFAOYSA-N
XLogP2.41
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromo-1H-indole-2-carbonyl)-propylamino]acetic acid
CID 119205142
N-ethyl-N-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxamide
CID 115771939
2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 804946
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
2-[ethyl-[2-(2-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
CID 61022230
2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 46800797
2-[(2-hydroxyphenyl)methyl-propylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 56526776
2-[(2,6-difluorobenzoyl)-propylamino]acetic acid
CID 61011405
N,N-dipropylacridine-9-carboxamide
CID 170440983
1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 4682217
N-(3-hydroxybutyl)-N,2-dimethyl-1H-indole-3-carboxamide
CID 115691704
1-(2-methyl-1H-indol-3-yl)-N,N-dipropylcyclopropane-1-carboxamide
CID 113211753

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1H-indole-3-carbonyl)-propylamino]acetic acid?
The IUPAC name of 2-[(2-methyl-1H-indole-3-carbonyl)-propylamino]acetic acid (CID 61007359) is 2-[(2-methyl-1H-indole-3-carbonyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(2-methyl-1H-indole-3-carbonyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(2-methyl-1H-indole-3-carbonyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1c(C)[nH]c2ccccc12.
What is the InChIKey of 2-[(2-methyl-1H-indole-3-carbonyl)-propylamino]acetic acid?
The InChIKey is NHSOZJWQNQGDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-8-17(9-13(18)19)15(20)14-10(2)16-12-7-5-4-6-11(12)14/h4-7,16H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[(2-methyl-1H-indole-3-carbonyl)-propylamino]acetic acid?
2-[(2-methyl-1H-indole-3-carbonyl)-propylamino]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1H-indole-3-carbonyl)-propylamino]acetic acid is sourced from PubChem (CID 61007359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).