1-[2-(1H-indol-5-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid

C16H18N2O3 — CID 60941797

IUPAC1-[2-(1H-indol-5-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C16H18N2O3/c19-14(10-16(15(20)21)6-1-2-7-16)18-12-3-4-13-11(9-12)5-8-17-13/h3-5,8-9,17H,1-2,6-7,10H2,(H,18,19)(H,20,21)
InChIKeyZKLKYGJNORJDCN-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.14
Rot. Bonds4

About 1-[2-(1H-indol-5-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-(1H-indol-5-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 60941797) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[2-(1H-indol-5-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1H-indol-5-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID60941797
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-[2-(1H-indol-5-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C16H18N2O3/c19-14(10-16(15(20)21)6-1-2-7-16)18-12-3-4-13-11(9-12)5-8-17-13/h3-5,8-9,17H,1-2,6-7,10H2,(H,18,19)(H,20,21)
InChIKeyZKLKYGJNORJDCN-UHFFFAOYSA-N
XLogP3.14
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclopentyl)-N-(1H-indol-5-yl)acetamide
CID 64679206
2-(1-aminocyclohexyl)-N-(1H-indol-5-yl)acetamide
CID 64679208
1-(aminomethyl)-N-(1H-indol-5-yl)cyclopentane-1-carboxamide
CID 81489854
4-(1H-indol-5-ylamino)-4-oxobutanoic acid
CID 54867490
N-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide
CID 110473206
1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 17420083
N-(1H-indol-5-yl)-2-(oxetan-3-yl)acetamide
CID 112526005
N-(1H-indol-5-yl)-3-propylpyrrolidine-3-carboxamide
CID 63141613
2-(4-hydroxyphenyl)-N-(1H-indol-5-yl)acetamide
CID 110472843
1-[2-(4-nitroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43402804
N'-(3-carbamoylphenyl)-N-(1H-indol-5-yl)butanediamide
CID 59103523
N-(1H-indol-5-yl)-4-(propan-2-ylamino)butanamide
CID 61249519

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-5-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(1H-indol-5-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 60941797) is 1-[2-(1H-indol-5-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(1H-indol-5-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(1H-indol-5-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCC1)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of 1-[2-(1H-indol-5-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZKLKYGJNORJDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-14(10-16(15(20)21)6-1-2-7-16)18-12-3-4-13-11(9-12)5-8-17-13/h3-5,8-9,17H,1-2,6-7,10H2,(H,18,19)(H,20,21).
What are the key properties of 1-[2-(1H-indol-5-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-(1H-indol-5-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-5-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 60941797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).