2-[1-[(3-carbamoylpyrazin-2-yl)amino]cyclohexyl]acetic acid

C13H18N4O3 — CID 64702363

IUPAC2-[1-[(3-carbamoylpyrazin-2-yl)amino]cyclohexyl]acetic acid
SMILESNC(=O)c1nccnc1NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H18N4O3/c14-11(20)10-12(16-7-6-15-10)17-13(8-9(18)19)4-2-1-3-5-13/h6-7H,1-5,8H2,(H2,14,20)(H,16,17)(H,18,19)
InChIKeyLPTIJTYSAUSSCZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.16
Rot. Bonds5

About 2-[1-[(3-carbamoylpyrazin-2-yl)amino]cyclohexyl]acetic acid

2-[1-[(3-carbamoylpyrazin-2-yl)amino]cyclohexyl]acetic acid (PubChem CID 64702363) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[1-[(3-carbamoylpyrazin-2-yl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-carbamoylpyrazin-2-yl)amino]cyclohexyl]acetic acid
PubChem CID64702363
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name2-[1-[(3-carbamoylpyrazin-2-yl)amino]cyclohexyl]acetic acid
SMILESNC(=O)c1nccnc1NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H18N4O3/c14-11(20)10-12(16-7-6-15-10)17-13(8-9(18)19)4-2-1-3-5-13/h6-7H,1-5,8H2,(H2,14,20)(H,16,17)(H,18,19)
InChIKeyLPTIJTYSAUSSCZ-UHFFFAOYSA-N
XLogP1.16
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid
CID 64701184
2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid
CID 64700995
2-[1-(pyrazin-2-ylamino)cyclohexyl]acetic acid
CID 64701383
2-[1-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclopentyl]acetic acid
CID 104729585
2-[1-[(3-methoxycarbonyl-2-pyridinyl)amino]cyclopentyl]acetic acid
CID 64700190
2-[1-[(5-bromoisoquinolin-1-yl)amino]cyclopentyl]acetic acid
CID 106536221
2-[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]acetic acid
CID 64700993
2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclohexyl]acetic acid
CID 64702556
2-[(3-carbamoylpyrazin-2-yl)amino]acetic acid
CID 62684494
2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid
CID 64701158
[1-[(3-aminopyrazin-2-yl)amino]cyclohexyl]methanol
CID 102984251
2-[1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]acetic acid
CID 79846545

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-carbamoylpyrazin-2-yl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(3-carbamoylpyrazin-2-yl)amino]cyclohexyl]acetic acid (CID 64702363) is 2-[1-[(3-carbamoylpyrazin-2-yl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-carbamoylpyrazin-2-yl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(3-carbamoylpyrazin-2-yl)amino]cyclohexyl]acetic acid is NC(=O)c1nccnc1NC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[(3-carbamoylpyrazin-2-yl)amino]cyclohexyl]acetic acid?
The InChIKey is LPTIJTYSAUSSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c14-11(20)10-12(16-7-6-15-10)17-13(8-9(18)19)4-2-1-3-5-13/h6-7H,1-5,8H2,(H2,14,20)(H,16,17)(H,18,19).
What are the key properties of 2-[1-[(3-carbamoylpyrazin-2-yl)amino]cyclohexyl]acetic acid?
2-[1-[(3-carbamoylpyrazin-2-yl)amino]cyclohexyl]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-carbamoylpyrazin-2-yl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64702363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).