cis-(1R,3S)-3-[3-(1-methylindol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid

C18H22N2O3 — CID 120678962

IUPACcis-(1R,3S)-3-[3-(1-methylindol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCn1cc(CCC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c2ccccc21
InChIInChI=1S/C18H22N2O3/c1-20-11-13(15-4-2-3-5-16(15)20)7-9-17(21)19-14-8-6-12(10-14)18(22)23/h2-5,11-12,14H,6-10H2,1H3,(H,19,21)(H,22,23)/t12-,14+/m1/s1
InChIKeyKCUVISXFCXWYIG-OCCSQVGLSA-N
MW314.38 g/mol
LogP2.48
Rot. Bonds5

About cis-(1R,3S)-3-[3-(1-methylindol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[3-(1-methylindol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 120678962) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is cis-(1R,3S)-3-[3-(1-methylindol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[3-(1-methylindol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID120678962
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Namecis-(1R,3S)-3-[3-(1-methylindol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCn1cc(CCC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c2ccccc21
InChIInChI=1S/C18H22N2O3/c1-20-11-13(15-4-2-3-5-16(15)20)7-9-17(21)19-14-8-6-12(10-14)18(22)23/h2-5,11-12,14H,6-10H2,1H3,(H,19,21)(H,22,23)/t12-,14+/m1/s1
InChIKeyKCUVISXFCXWYIG-OCCSQVGLSA-N
XLogP2.48
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1R,3S)-3-[3-(1-methylindol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,1-dioxothiolan-3-yl)-3-(1-methylindol-3-yl)propanamide
CID 71702598
3-(1-methylindol-3-yl)-N-(1-pyridin-2-ylazetidin-3-yl)propanamide
CID 154847663
N-ethyl-3-(1-methylindol-3-yl)propanamide
CID 167074114
3-(1-methylindol-3-yl)-N-propan-2-ylpropanamide
CID 110847846
3-[3-(7-methyl-1H-indol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 75498111
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1-methylindol-3-yl)acetamide
CID 98783390
cis-(1R,3S)-3-[3-(2,3-difluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678802
cis-(1R,3S)-3-[3-(4-ethylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 106321351
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(1-methylindol-3-yl)propanamide
CID 124828756
1-cyclopentyl-3-[2-(1-methylindol-3-yl)ethyl]urea
CID 110748890
methyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 86859520
cis-(1R,3S)-3-[4-(1H-indol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120679084

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[3-(1-methylindol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[3-(1-methylindol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid (CID 120678962) is cis-(1R,3S)-3-[3-(1-methylindol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[3-(1-methylindol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[3-(1-methylindol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid is Cn1cc(CCC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c2ccccc21.
What is the InChIKey of cis-(1R,3S)-3-[3-(1-methylindol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is KCUVISXFCXWYIG-OCCSQVGLSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-20-11-13(15-4-2-3-5-16(15)20)7-9-17(21)19-14-8-6-12(10-14)18(22)23/h2-5,11-12,14H,6-10H2,1H3,(H,19,21)(H,22,23)/t12-,14+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[3-(1-methylindol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[3-(1-methylindol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 314.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[3-(1-methylindol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).