1-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-2-carboxylic acid

C14H18N2O3 — CID 80566806

IUPAC1-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-2-carboxylic acid
SMILESCCNC(=O)C(C)N1c2ccccc2CC1C(=O)O
InChIInChI=1S/C14H18N2O3/c1-3-15-13(17)9(2)16-11-7-5-4-6-10(11)8-12(16)14(18)19/h4-7,9,12H,3,8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyXOQUYRCBXDTNPO-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.03
Rot. Bonds4

About 1-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-2-carboxylic acid

1-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 80566806) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID80566806
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-2-carboxylic acid
SMILESCCNC(=O)C(C)N1c2ccccc2CC1C(=O)O
InChIInChI=1S/C14H18N2O3/c1-3-15-13(17)9(2)16-11-7-5-4-6-10(11)8-12(16)14(18)19/h4-7,9,12H,3,8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyXOQUYRCBXDTNPO-UHFFFAOYSA-N
XLogP1.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]-2,3-dihydroindole-2-carboxylic acid
CID 80566967
1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2,3-dihydroindole-2-carboxylic acid
CID 80567318
(2S)-1-[(4S)-1,4-diamino-1,3-dioxohexan-2-yl]-2,3-dihydroindole-2-carboxylic acid
CID 87962897
(2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 64599026
1-propyl-2,3-dihydroindole-2-carboxylic acid
CID 80566723
(3R)-2-(ethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 61188864
1-(4-carboxy-2-methylbutanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 13105676
2-(2-methylbutyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 62875851
1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 62636188
1-[2-(ethylamino)-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 62837015
1-(2-bromopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 18457697
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 78967658

Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-2-carboxylic acid (CID 80566806) is 1-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-2-carboxylic acid is CCNC(=O)C(C)N1c2ccccc2CC1C(=O)O.
What is the InChIKey of 1-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is XOQUYRCBXDTNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-15-13(17)9(2)16-11-7-5-4-6-10(11)8-12(16)14(18)19/h4-7,9,12H,3,8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 1-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-2-carboxylic acid?
1-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 80566806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).