cis-(1R,3S)-3-[(6-chloropyrazine-2-carbonyl)amino]cyclopentane-1-carboxylic acid

C11H12ClN3O3 — CID 106321292

IUPACcis-(1R,3S)-3-[(6-chloropyrazine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cncc(Cl)n1
InChIInChI=1S/C11H12ClN3O3/c12-9-5-13-4-8(15-9)10(16)14-7-2-1-6(3-7)11(17)18/h4-7H,1-3H2,(H,14,16)(H,17,18)/t6-,7+/m1/s1
InChIKeyYIRXQPFHTDCRSS-RQJHMYQMSA-N
MW269.69 g/mol
LogP1.11
Rot. Bonds3

About cis-(1R,3S)-3-[(6-chloropyrazine-2-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(6-chloropyrazine-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 106321292) has the molecular formula C11H12ClN3O3 and a molecular weight of 269.69 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(6-chloropyrazine-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(6-chloropyrazine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID106321292
Molecular FormulaC11H12ClN3O3
Molecular Weight269.69 g/mol
Exact Mass269.06
IUPAC Namecis-(1R,3S)-3-[(6-chloropyrazine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cncc(Cl)n1
InChIInChI=1S/C11H12ClN3O3/c12-9-5-13-4-8(15-9)10(16)14-7-2-1-6(3-7)11(17)18/h4-7H,1-3H2,(H,14,16)(H,17,18)/t6-,7+/m1/s1
InChIKeyYIRXQPFHTDCRSS-RQJHMYQMSA-N
XLogP1.11
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide
CID 103336797
6-chloro-N-(2-methyloxan-4-yl)pyrazine-2-carboxamide
CID 106551626
3-(pyrazine-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032324
6-chloro-N-(thian-4-yl)pyrazine-2-carboxamide
CID 106551266
3-[(6-chloropyrazine-2-carbonyl)amino]azetidine-1-carboxylic acid
CID 118279389
N-(azetidin-3-yl)-6-chloropyrazine-2-carboxamide;hydrochloride
CID 118279228
cis-(1R,3S)-3-[(5-fluoropyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320712
cis-(1S,3R)-3-(1,2,5-thiadiazole-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 120675557
3-[(2-chloropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103932881
6-chloro-N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 106551204
cis-(1R,3S)-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 106321029
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(6-chloropyrazine-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(6-chloropyrazine-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 106321292) is cis-(1R,3S)-3-[(6-chloropyrazine-2-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(6-chloropyrazine-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(6-chloropyrazine-2-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cncc(Cl)n1.
What is the InChIKey of cis-(1R,3S)-3-[(6-chloropyrazine-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is YIRXQPFHTDCRSS-RQJHMYQMSA-N. The full InChI is InChI=1S/C11H12ClN3O3/c12-9-5-13-4-8(15-9)10(16)14-7-2-1-6(3-7)11(17)18/h4-7H,1-3H2,(H,14,16)(H,17,18)/t6-,7+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(6-chloropyrazine-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(6-chloropyrazine-2-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 269.69 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(6-chloropyrazine-2-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106321292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).