1-[[2-(5-amino-2-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid

C13H17N3O3 — CID 107338192

IUPAC1-[[2-(5-amino-2-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESNc1ccc(CC(=O)NC2(C(=O)O)CCCC2)nc1
InChIInChI=1S/C13H17N3O3/c14-9-3-4-10(15-8-9)7-11(17)16-13(12(18)19)5-1-2-6-13/h3-4,8H,1-2,5-7,14H2,(H,16,17)(H,18,19)
InChIKeyQUONVFMUPRUBCH-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.72
Rot. Bonds4

About 1-[[2-(5-amino-2-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid

1-[[2-(5-amino-2-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 107338192) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[[2-(5-amino-2-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(5-amino-2-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID107338192
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-[[2-(5-amino-2-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESNc1ccc(CC(=O)NC2(C(=O)O)CCCC2)nc1
InChIInChI=1S/C13H17N3O3/c14-9-3-4-10(15-8-9)7-11(17)16-13(12(18)19)5-1-2-6-13/h3-4,8H,1-2,5-7,14H2,(H,16,17)(H,18,19)
InChIKeyQUONVFMUPRUBCH-UHFFFAOYSA-N
XLogP0.72
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[[2-(5-amino-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 107339432
2-(5-amino-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]acetamide
CID 114094154
2-(5-amino-2-pyridinyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride
CID 120617410
2-(5-amino-2-pyridinyl)-N-[(1-methylcyclopropyl)methyl]acetamide;hydrochloride
CID 120635774
1-[[2-(1,2-oxazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 115910187
2-(5-amino-2-pyridinyl)-N-(4,4-dimethylcyclohexyl)acetamide;hydrochloride
CID 120633539
1-[[2-(6-bromo-2-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 153387632
1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176767
(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid
CID 107338226
1-[[2-[6-(trifluoromethyl)-2-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 166277022
2-(5-amino-2-pyridinyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 107339008
1-[[2-(4-methylphenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 43341572

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(5-amino-2-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(5-amino-2-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 107338192) is 1-[[2-(5-amino-2-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(5-amino-2-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(5-amino-2-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid is Nc1ccc(CC(=O)NC2(C(=O)O)CCCC2)nc1.
What is the InChIKey of 1-[[2-(5-amino-2-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is QUONVFMUPRUBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-9-3-4-10(15-8-9)7-11(17)16-13(12(18)19)5-1-2-6-13/h3-4,8H,1-2,5-7,14H2,(H,16,17)(H,18,19).
What are the key properties of 1-[[2-(5-amino-2-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-(5-amino-2-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(5-amino-2-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107338192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).