(2S)-1-[cyclopropylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid

C15H18N2O3 — CID 61207294

IUPAC(2S)-1-[cyclopropylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCN(CC1CC1)C(=O)N1c2ccccc2C[C@H]1C(=O)O
InChIInChI=1S/C15H18N2O3/c1-16(9-10-6-7-10)15(20)17-12-5-3-2-4-11(12)8-13(17)14(18)19/h2-5,10,13H,6-9H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyPTPLBGMGBANEPS-ZDUSSCGKSA-N
MW274.32 g/mol
LogP1.96
Rot. Bonds3

About (2S)-1-[cyclopropylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid

(2S)-1-[cyclopropylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 61207294) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2S)-1-[cyclopropylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[cyclopropylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID61207294
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(2S)-1-[cyclopropylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCN(CC1CC1)C(=O)N1c2ccccc2C[C@H]1C(=O)O
InChIInChI=1S/C15H18N2O3/c1-16(9-10-6-7-10)15(20)17-12-5-3-2-4-11(12)8-13(17)14(18)19/h2-5,10,13H,6-9H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyPTPLBGMGBANEPS-ZDUSSCGKSA-N
XLogP1.96
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-[cyclopropylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[cyclobutylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 62856962
(2S)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 63699600
(2S)-1-[methyl(2-methylsulfanylethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 103955199
(2S)-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61206066
(3S)-2-[cyclopropylmethyl(methyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 104895781
1-[methyl(3-methylbutan-2-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61202892
1-[methyl(2-methylbutan-2-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 63957255
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2S)-1-[1-methoxypropan-2-yl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61452466
(2S)-1-[ethyl(2-hydroxyethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61208806
1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 78967661
1-[ethyl(2-methoxyethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61447430

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[cyclopropylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of (2S)-1-[cyclopropylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid (CID 61207294) is (2S)-1-[cyclopropylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[cyclopropylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for (2S)-1-[cyclopropylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid is CN(CC1CC1)C(=O)N1c2ccccc2C[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[cyclopropylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is PTPLBGMGBANEPS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-16(9-10-6-7-10)15(20)17-12-5-3-2-4-11(12)8-13(17)14(18)19/h2-5,10,13H,6-9H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-1-[cyclopropylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid?
(2S)-1-[cyclopropylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[cyclopropylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 61207294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).