cis-(1R,3S)-3-[4-(1H-indol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid

C18H22N2O3 — CID 120679084

IUPACcis-(1R,3S)-3-[4-(1H-indol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCCc1c[nH]c2ccccc12)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C18H22N2O3/c21-17(20-14-9-8-12(10-14)18(22)23)7-3-4-13-11-19-16-6-2-1-5-15(13)16/h1-2,5-6,11-12,14,19H,3-4,7-10H2,(H,20,21)(H,22,23)/t12-,14+/m1/s1
InChIKeyRQLDMDFLYVPXEU-OCCSQVGLSA-N
MW314.38 g/mol
LogP2.86
Rot. Bonds6

About cis-(1R,3S)-3-[4-(1H-indol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[4-(1H-indol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 120679084) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is cis-(1R,3S)-3-[4-(1H-indol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[4-(1H-indol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid
PubChem CID120679084
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Namecis-(1R,3S)-3-[4-(1H-indol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCCc1c[nH]c2ccccc12)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C18H22N2O3/c21-17(20-14-9-8-12(10-14)18(22)23)7-3-4-13-11-19-16-6-2-1-5-15(13)16/h1-2,5-6,11-12,14,19H,3-4,7-10H2,(H,20,21)(H,22,23)/t12-,14+/m1/s1
InChIKeyRQLDMDFLYVPXEU-OCCSQVGLSA-N
XLogP2.86
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide
CID 79688237
N-cyclohexyl-5-(1H-indol-3-yl)pentanamide
CID 140983117
4-(1H-indol-3-yl)-N-piperidin-3-ylbutanamide
CID 63321297
3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 106995348
4-(1H-indol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 17487739
3-(1H-indol-3-yl)-N-(3-methylcyclohexyl)propanamide
CID 43420888
3-[3-(7-methyl-1H-indol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 75498111
ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate
CID 51165109
N-(3,4-dimethylcyclohexyl)-2-(1H-indol-3-yl)acetamide
CID 64742201
cis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320270
disodium;hydride;4-(1H-indol-3-yl)butanoic acid
CID 174726095

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[4-(1H-indol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[4-(1H-indol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid (CID 120679084) is cis-(1R,3S)-3-[4-(1H-indol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[4-(1H-indol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[4-(1H-indol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid is O=C(CCCc1c[nH]c2ccccc12)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[4-(1H-indol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is RQLDMDFLYVPXEU-OCCSQVGLSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-17(20-14-9-8-12(10-14)18(22)23)7-3-4-13-11-19-16-6-2-1-5-15(13)16/h1-2,5-6,11-12,14,19H,3-4,7-10H2,(H,20,21)(H,22,23)/t12-,14+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[4-(1H-indol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[4-(1H-indol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 314.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[4-(1H-indol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120679084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).