1-(3-pyrazin-2-ylpropanoylamino)cyclopentane-1-carboxylic acid

C13H17N3O3 — CID 119061410

IUPAC1-(3-pyrazin-2-ylpropanoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(CCc1cnccn1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H17N3O3/c17-11(4-3-10-9-14-7-8-15-10)16-13(12(18)19)5-1-2-6-13/h7-9H,1-6H2,(H,16,17)(H,18,19)
InChIKeyIPPXBTWMYFGBLW-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.92
Rot. Bonds5

About 1-(3-pyrazin-2-ylpropanoylamino)cyclopentane-1-carboxylic acid

1-(3-pyrazin-2-ylpropanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 119061410) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(3-pyrazin-2-ylpropanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-pyrazin-2-ylpropanoylamino)cyclopentane-1-carboxylic acid
PubChem CID119061410
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(3-pyrazin-2-ylpropanoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(CCc1cnccn1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H17N3O3/c17-11(4-3-10-9-14-7-8-15-10)16-13(12(18)19)5-1-2-6-13/h7-9H,1-6H2,(H,16,17)(H,18,19)
InChIKeyIPPXBTWMYFGBLW-UHFFFAOYSA-N
XLogP0.92
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1,3-thiazol-4-yl)propanoylamino]cycloheptane-1-carboxylic acid
CID 120538662
N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-pyrazin-2-ylpropanamide
CID 122572427
1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid
CID 13376659
1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 43132383
1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 71897423
1-[[2-[4-(trifluoromethyl)-3-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 166241496
1-[[2-(5-amino-2-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 107338192
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 43351070
1-(4-phenoxybutanoylamino)cyclobutane-1-carboxylic acid
CID 81164463
5-pyrazin-2-ylpentanoic acid
CID 22934386
1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849
N-[(1R,3S)-3-(3-methoxypropanoylamino)cyclopentyl]-3-pyrazin-2-ylpropanamide
CID 146038626

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrazin-2-ylpropanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3-pyrazin-2-ylpropanoylamino)cyclopentane-1-carboxylic acid (CID 119061410) is 1-(3-pyrazin-2-ylpropanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3-pyrazin-2-ylpropanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3-pyrazin-2-ylpropanoylamino)cyclopentane-1-carboxylic acid is O=C(CCc1cnccn1)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(3-pyrazin-2-ylpropanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is IPPXBTWMYFGBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-11(4-3-10-9-14-7-8-15-10)16-13(12(18)19)5-1-2-6-13/h7-9H,1-6H2,(H,16,17)(H,18,19).
What are the key properties of 1-(3-pyrazin-2-ylpropanoylamino)cyclopentane-1-carboxylic acid?
1-(3-pyrazin-2-ylpropanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrazin-2-ylpropanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 119061410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).