2-[(3-carbamoylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid

C11H14N4O3 — CID 64817049

IUPAC2-[(3-carbamoylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESNC(=O)c1nccnc1NC1CCCC1C(=O)O
InChIInChI=1S/C11H14N4O3/c12-9(16)8-10(14-5-4-13-8)15-7-3-1-2-6(7)11(17)18/h4-7H,1-3H2,(H2,12,16)(H,14,15)(H,17,18)
InChIKeyITQUFPZPEDQEIA-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.24
Rot. Bonds4

About 2-[(3-carbamoylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid

2-[(3-carbamoylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 64817049) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-[(3-carbamoylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-carbamoylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID64817049
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name2-[(3-carbamoylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESNC(=O)c1nccnc1NC1CCCC1C(=O)O
InChIInChI=1S/C11H14N4O3/c12-9(16)8-10(14-5-4-13-8)15-7-3-1-2-6(7)11(17)18/h4-7H,1-3H2,(H2,12,16)(H,14,15)(H,17,18)
InChIKeyITQUFPZPEDQEIA-UHFFFAOYSA-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

cis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid
CID 164653891
2-(furo[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid
CID 106534894
2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 64817622
2-(4-carbamoylanilino)cyclopentane-1-carboxylic acid
CID 64817627
2-[(3,6-dimethylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 65416448
2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclohexane-1-carboxylic acid
CID 64818022
2-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 64817039
2-[(3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 64818217
2-(phthalazin-1-ylamino)cyclopentane-1-carboxylic acid
CID 64817626
2-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 64817052
2-(4-hydroxyanilino)cyclopentane-1-carboxylic acid
CID 84724767
cis-(1R,2S)-2-(carbamothioylamino)cyclopentane-1-carboxylic acid
CID 15534342

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-carbamoylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid (CID 64817049) is 2-[(3-carbamoylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-carbamoylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-carbamoylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid is NC(=O)c1nccnc1NC1CCCC1C(=O)O.
What is the InChIKey of 2-[(3-carbamoylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is ITQUFPZPEDQEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-9(16)8-10(14-5-4-13-8)15-7-3-1-2-6(7)11(17)18/h4-7H,1-3H2,(H2,12,16)(H,14,15)(H,17,18).
What are the key properties of 2-[(3-carbamoylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid?
2-[(3-carbamoylpyrazin-2-yl)amino]cyclopentane-1-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 2-[(3-carbamoylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64817049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).