1-(3-aminopropylcarbamoyl)-2,3-dihydroindole-6-carboxylic acid

C13H17N3O3 — CID 113382414

IUPAC1-(3-aminopropylcarbamoyl)-2,3-dihydroindole-6-carboxylic acid
SMILESNCCCNC(=O)N1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C13H17N3O3/c14-5-1-6-15-13(19)16-7-4-9-2-3-10(12(17)18)8-11(9)16/h2-3,8H,1,4-7,14H2,(H,15,19)(H,17,18)
InChIKeyYWDHPTPPIHUSIL-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.81
Rot. Bonds4

About 1-(3-aminopropylcarbamoyl)-2,3-dihydroindole-6-carboxylic acid

1-(3-aminopropylcarbamoyl)-2,3-dihydroindole-6-carboxylic acid (PubChem CID 113382414) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(3-aminopropylcarbamoyl)-2,3-dihydroindole-6-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminopropylcarbamoyl)-2,3-dihydroindole-6-carboxylic acid
PubChem CID113382414
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(3-aminopropylcarbamoyl)-2,3-dihydroindole-6-carboxylic acid
SMILESNCCCNC(=O)N1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C13H17N3O3/c14-5-1-6-15-13(19)16-7-4-9-2-3-10(12(17)18)8-11(9)16/h2-3,8H,1,4-7,14H2,(H,15,19)(H,17,18)
InChIKeyYWDHPTPPIHUSIL-UHFFFAOYSA-N
XLogP0.81
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(6-chloro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid
CID 122018695
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide
CID 119259829
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid
CID 113382385
1-(2-aminobutanoyl)-2,3-dihydroindole-6-carboxylic acid
CID 113382387
6-amino-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 43164814
1-(2-methylsulfonylacetyl)-2,3-dihydroindole-6-carboxylic acid
CID 113382365
1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 64596792
4-[[(5,6-dimethyl-2,3-dihydroindole-1-carbonyl)amino]methyl]benzoic acid
CID 122020416
2-(3-aminopropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 62274870
1-(2-methylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 62691645
2-[(4-amino-4-oxobutyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103999743

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropylcarbamoyl)-2,3-dihydroindole-6-carboxylic acid?
The IUPAC name of 1-(3-aminopropylcarbamoyl)-2,3-dihydroindole-6-carboxylic acid (CID 113382414) is 1-(3-aminopropylcarbamoyl)-2,3-dihydroindole-6-carboxylic acid.
What is the SMILES notation for 1-(3-aminopropylcarbamoyl)-2,3-dihydroindole-6-carboxylic acid?
The canonical SMILES for 1-(3-aminopropylcarbamoyl)-2,3-dihydroindole-6-carboxylic acid is NCCCNC(=O)N1CCc2ccc(C(=O)O)cc21.
What is the InChIKey of 1-(3-aminopropylcarbamoyl)-2,3-dihydroindole-6-carboxylic acid?
The InChIKey is YWDHPTPPIHUSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-5-1-6-15-13(19)16-7-4-9-2-3-10(12(17)18)8-11(9)16/h2-3,8H,1,4-7,14H2,(H,15,19)(H,17,18).
What are the key properties of 1-(3-aminopropylcarbamoyl)-2,3-dihydroindole-6-carboxylic acid?
1-(3-aminopropylcarbamoyl)-2,3-dihydroindole-6-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropylcarbamoyl)-2,3-dihydroindole-6-carboxylic acid is sourced from PubChem (CID 113382414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).