1-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydroindole-2-carboxylic acid

C15H20N2O3 — CID 80566903

IUPAC1-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCC(C)NC(=O)CCN1c2ccccc2CC1C(=O)O
InChIInChI=1S/C15H20N2O3/c1-10(2)16-14(18)7-8-17-12-6-4-3-5-11(12)9-13(17)15(19)20/h3-6,10,13H,7-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyKSGJDWZYGMNVFO-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.42
Rot. Bonds5

About 1-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydroindole-2-carboxylic acid

1-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 80566903) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID80566903
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCC(C)NC(=O)CCN1c2ccccc2CC1C(=O)O
InChIInChI=1S/C15H20N2O3/c1-10(2)16-14(18)7-8-17-12-6-4-3-5-11(12)9-13(17)15(19)20/h3-6,10,13H,7-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyKSGJDWZYGMNVFO-UHFFFAOYSA-N
XLogP1.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-2,3-dihydroindole-2-carboxylic acid
CID 80566723
2-[3-oxo-3-(propan-2-ylamino)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 42957759
1-(3-hydroxy-3-methylbutyl)-2,3-dihydroindole-2-carboxylic acid
CID 80566836
1-(3-fluoropropyl)-2,3-dihydroindole-2-carboxylic acid
CID 81113053
1-(2-propoxyethyl)-2,3-dihydroindole-2-carboxylic acid
CID 106454785
1-[2-(methoxycarbonylamino)-2-oxoethyl]-2,3-dihydroindole-2-carboxylic acid
CID 80566850
1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-carboxylic acid
CID 80566919
(2R)-1-propan-2-yloxycarbonyl-2,3-dihydroindole-2-carboxylic acid
CID 67873825
1-[2-(oxolan-2-yl)ethyl]-2,3-dihydroindole-2-carboxylic acid
CID 80566587
N-cycloheptyl-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
CID 109031533
2-(propan-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 43208679
(2S)-1-[(2S)-2-amino-3-oxopropyl]-2,3-dihydroindole-2-carboxylic acid
CID 86739477

Frequently Asked Questions

What is the IUPAC name of 1-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydroindole-2-carboxylic acid (CID 80566903) is 1-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydroindole-2-carboxylic acid is CC(C)NC(=O)CCN1c2ccccc2CC1C(=O)O.
What is the InChIKey of 1-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is KSGJDWZYGMNVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)16-14(18)7-8-17-12-6-4-3-5-11(12)9-13(17)15(19)20/h3-6,10,13H,7-9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 1-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydroindole-2-carboxylic acid?
1-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 80566903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).