5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid

C11H14N4O3 — CID 122058090

IUPAC5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid
SMILESNC(=O)[C@@H]1CC[C@H](Nc2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C11H14N4O3/c12-10(16)6-1-2-7(3-6)15-9-5-13-8(4-14-9)11(17)18/h4-7H,1-3H2,(H2,12,16)(H,14,15)(H,17,18)/t6-,7+/m1/s1
InChIKeyCGJSCJLTVFXCBW-RQJHMYQMSA-N
MW250.26 g/mol
LogP0.24
Rot. Bonds4

About 5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid

5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid (PubChem CID 122058090) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid
PubChem CID122058090
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid
SMILESNC(=O)[C@@H]1CC[C@H](Nc2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C11H14N4O3/c12-10(16)6-1-2-7(3-6)15-9-5-13-8(4-14-9)11(17)18/h4-7H,1-3H2,(H2,12,16)(H,14,15)(H,17,18)/t6-,7+/m1/s1
InChIKeyCGJSCJLTVFXCBW-RQJHMYQMSA-N
XLogP0.24
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)amino]pyrazine-2-carboxylic acid
CID 166349497
5-[(3,5-dimethylcyclohexyl)amino]pyrazine-2-carboxylic acid
CID 64732761
5-[(3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid
CID 122052048
5-(5,8-dioxaspiro[3.5]nonan-2-ylamino)pyrazine-2-carboxylic acid
CID 167981476
methyl 5-[(3-methoxycyclopentyl)amino]pyrazine-2-carboxylate
CID 114118099
5-[(2-thiophen-2-yloxan-4-yl)amino]pyrazine-2-carboxylic acid
CID 122058019
5-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]pyrazine-2-carboxylic acid
CID 122053880
5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]pyrazine-2-carboxylic acid
CID 122054120
N-cyclohexyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274635
N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274884
5-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid
CID 107372454
5-[(7-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]pyrazine-2-carboxylic acid
CID 166402145

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid (CID 122058090) is 5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid is NC(=O)[C@@H]1CC[C@H](Nc2cnc(C(=O)O)cn2)C1.
What is the InChIKey of 5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid?
The InChIKey is CGJSCJLTVFXCBW-RQJHMYQMSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-10(16)6-1-2-7(3-6)15-9-5-13-8(4-14-9)11(17)18/h4-7H,1-3H2,(H2,12,16)(H,14,15)(H,17,18)/t6-,7+/m1/s1.
What are the key properties of 5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid?
5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid has a molecular weight of 250.26 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122058090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).