cis-methyl (1R,3S)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylate

C13H16ClN3O3 — CID 121454905

IUPACcis-methyl (1R,3S)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@H](C(=O)NCc2nccnc2Cl)C1
InChIInChI=1S/C13H16ClN3O3/c1-20-13(19)9-3-2-8(6-9)12(18)17-7-10-11(14)16-5-4-15-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,18)/t8-,9+/m0/s1
InChIKeyQSIBWHLVIZNBER-DTWKUNHWSA-N
MW297.74 g/mol
LogP1.34
Rot. Bonds4

About cis-methyl (1R,3S)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylate

cis-methyl (1R,3S)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylate (PubChem CID 121454905) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is cis-methyl (1R,3S)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,3S)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylate
PubChem CID121454905
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Namecis-methyl (1R,3S)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@H](C(=O)NCc2nccnc2Cl)C1
InChIInChI=1S/C13H16ClN3O3/c1-20-13(19)9-3-2-8(6-9)12(18)17-7-10-11(14)16-5-4-15-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,18)/t8-,9+/m0/s1
InChIKeyQSIBWHLVIZNBER-DTWKUNHWSA-N
XLogP1.34
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cis-methyl (1R,3S)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylate 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

(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]cyclopropanecarboxamide
CID 157428189
(3R)-N-[(3-chloropyrazin-2-yl)methyl]-1-methylpiperidine-3-carboxamide
CID 168934298
3-[(3-chloropyrazin-2-yl)methylcarbamoyl]-1-ethylbicyclo[3.1.0]hexane-6-carboxylic acid
CID 121455847
tert-butyl (3S)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate;sulfane
CID 161175121
(7S,9aS)-N-[(3-chloropyrazin-2-yl)methyl]-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazine-7-carboxamide
CID 90283177
N-[(3-chloropyrazin-2-yl)methyl]-2,3,3-trimethyl-1-oxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-7-carboxamide
CID 121456295
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
(2S,5R)-2-benzyl-5-[(3-chloropyrazin-2-yl)methylcarbamoyl]-2-(hydroxymethyl)piperidine-1-carboxylic acid
CID 90283616
trans-dimethyl (1R,3R)-cyclohexane-1,3-dicarboxylate
CID 83819230
4-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784717
methyl 3-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylate
CID 90092373
1-N,4-N-bis(isoquinolin-1-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 167988720

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,3S)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1R,3S)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylate (CID 121454905) is cis-methyl (1R,3S)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,3S)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,3S)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylate is COC(=O)[C@@H]1CC[C@H](C(=O)NCc2nccnc2Cl)C1.
What is the InChIKey of cis-methyl (1R,3S)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylate?
The InChIKey is QSIBWHLVIZNBER-DTWKUNHWSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-20-13(19)9-3-2-8(6-9)12(18)17-7-10-11(14)16-5-4-15-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,18)/t8-,9+/m0/s1.
What are the key properties of cis-methyl (1R,3S)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylate?
cis-methyl (1R,3S)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylate has a molecular weight of 297.74 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,3S)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 121454905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).