1-[3-(1H-indol-3-yl)propanoylamino]cyclopropane-1-carboxylic acid

C15H16N2O3 — CID 65450806

IUPAC1-[3-(1H-indol-3-yl)propanoylamino]cyclopropane-1-carboxylic acid
SMILESO=C(CCc1c[nH]c2ccccc12)NC1(C(=O)O)CC1
InChIInChI=1S/C15H16N2O3/c18-13(17-15(7-8-15)14(19)20)6-5-10-9-16-12-4-2-1-3-11(10)12/h1-4,9,16H,5-8H2,(H,17,18)(H,19,20)
InChIKeyWVUSMAANTHUYGL-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.83
Rot. Bonds5

About 1-[3-(1H-indol-3-yl)propanoylamino]cyclopropane-1-carboxylic acid

1-[3-(1H-indol-3-yl)propanoylamino]cyclopropane-1-carboxylic acid (PubChem CID 65450806) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[3-(1H-indol-3-yl)propanoylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(1H-indol-3-yl)propanoylamino]cyclopropane-1-carboxylic acid
PubChem CID65450806
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-[3-(1H-indol-3-yl)propanoylamino]cyclopropane-1-carboxylic acid
SMILESO=C(CCc1c[nH]c2ccccc12)NC1(C(=O)O)CC1
InChIInChI=1S/C15H16N2O3/c18-13(17-15(7-8-15)14(19)20)6-5-10-9-16-12-4-2-1-3-11(10)12/h1-4,9,16H,5-8H2,(H,17,18)(H,19,20)
InChIKeyWVUSMAANTHUYGL-UHFFFAOYSA-N
XLogP1.83
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1H-indol-3-yl)propanoylamino]-2,3-dihydroindene-1-carboxylic acid
CID 166224769
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
2-[3-(1H-indol-3-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120546197
3-[[2-(1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 64890196
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2086054
3-(1H-indol-3-yl)-N-[(1-propylcyclopropyl)methyl]propanamide
CID 103762183
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
2-[3-(1H-indol-3-yl)propanoylamino]acetate
CID 7677841
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 16582538
3-(1H-indol-3-yl)-N-[(1-methoxycyclobutyl)methyl]propanamide
CID 103991132

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-3-yl)propanoylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[3-(1H-indol-3-yl)propanoylamino]cyclopropane-1-carboxylic acid (CID 65450806) is 1-[3-(1H-indol-3-yl)propanoylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(1H-indol-3-yl)propanoylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[3-(1H-indol-3-yl)propanoylamino]cyclopropane-1-carboxylic acid is O=C(CCc1c[nH]c2ccccc12)NC1(C(=O)O)CC1.
What is the InChIKey of 1-[3-(1H-indol-3-yl)propanoylamino]cyclopropane-1-carboxylic acid?
The InChIKey is WVUSMAANTHUYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-13(17-15(7-8-15)14(19)20)6-5-10-9-16-12-4-2-1-3-11(10)12/h1-4,9,16H,5-8H2,(H,17,18)(H,19,20).
What are the key properties of 1-[3-(1H-indol-3-yl)propanoylamino]cyclopropane-1-carboxylic acid?
1-[3-(1H-indol-3-yl)propanoylamino]cyclopropane-1-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-indol-3-yl)propanoylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 65450806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).