3-[ethyl-(2-methyl-2,3-dihydroindole-1-carbonyl)amino]propanoic acid

C15H20N2O3 — CID 61185854

IUPAC3-[ethyl-(2-methyl-2,3-dihydroindole-1-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N1c2ccccc2CC1C
InChIInChI=1S/C15H20N2O3/c1-3-16(9-8-14(18)19)15(20)17-11(2)10-12-6-4-5-7-13(12)17/h4-7,11H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyOOWOWHRXVRCOLE-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.35
Rot. Bonds4

About 3-[ethyl-(2-methyl-2,3-dihydroindole-1-carbonyl)amino]propanoic acid

3-[ethyl-(2-methyl-2,3-dihydroindole-1-carbonyl)amino]propanoic acid (PubChem CID 61185854) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[ethyl-(2-methyl-2,3-dihydroindole-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-(2-methyl-2,3-dihydroindole-1-carbonyl)amino]propanoic acid
PubChem CID61185854
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[ethyl-(2-methyl-2,3-dihydroindole-1-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N1c2ccccc2CC1C
InChIInChI=1S/C15H20N2O3/c1-3-16(9-8-14(18)19)15(20)17-11(2)10-12-6-4-5-7-13(12)17/h4-7,11H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyOOWOWHRXVRCOLE-UHFFFAOYSA-N
XLogP2.35
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-methoxyethyl-(2-methyl-2,3-dihydroindole-1-carbonyl)amino]acetic acid
CID 79270269
(2S)-1-[ethyl(2-hydroxyethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61208806
1-[ethyl(2-methoxyethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61447430
N,N-diethyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109139390
4-methyl-5-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid
CID 82014555
N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2-methylpropyl)acetamide
CID 113116087
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylpropanoic acid
CID 93299689
N-(2-methoxyethyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113117047
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2432568

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-methyl-2,3-dihydroindole-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl-(2-methyl-2,3-dihydroindole-1-carbonyl)amino]propanoic acid (CID 61185854) is 3-[ethyl-(2-methyl-2,3-dihydroindole-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-(2-methyl-2,3-dihydroindole-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl-(2-methyl-2,3-dihydroindole-1-carbonyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)N1c2ccccc2CC1C.
What is the InChIKey of 3-[ethyl-(2-methyl-2,3-dihydroindole-1-carbonyl)amino]propanoic acid?
The InChIKey is OOWOWHRXVRCOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-16(9-8-14(18)19)15(20)17-11(2)10-12-6-4-5-7-13(12)17/h4-7,11H,3,8-10H2,1-2H3,(H,18,19).
What are the key properties of 3-[ethyl-(2-methyl-2,3-dihydroindole-1-carbonyl)amino]propanoic acid?
3-[ethyl-(2-methyl-2,3-dihydroindole-1-carbonyl)amino]propanoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-methyl-2,3-dihydroindole-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61185854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).