2-[5-[(3-aminocyclopentanecarbonyl)amino]-2-pyridinyl]acetic acid

C13H17N3O3 — CID 107341071

IUPAC2-[5-[(3-aminocyclopentanecarbonyl)amino]-2-pyridinyl]acetic acid
SMILESNC1CCC(C(=O)Nc2ccc(CC(=O)O)nc2)C1
InChIInChI=1S/C13H17N3O3/c14-9-2-1-8(5-9)13(19)16-11-4-3-10(15-7-11)6-12(17)18/h3-4,7-9H,1-2,5-6,14H2,(H,16,19)(H,17,18)
InChIKeyCZHMACKLFQYMNU-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.77
Rot. Bonds4

About 2-[5-[(3-aminocyclopentanecarbonyl)amino]-2-pyridinyl]acetic acid

2-[5-[(3-aminocyclopentanecarbonyl)amino]-2-pyridinyl]acetic acid (PubChem CID 107341071) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[5-[(3-aminocyclopentanecarbonyl)amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(3-aminocyclopentanecarbonyl)amino]-2-pyridinyl]acetic acid
PubChem CID107341071
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[5-[(3-aminocyclopentanecarbonyl)amino]-2-pyridinyl]acetic acid
SMILESNC1CCC(C(=O)Nc2ccc(CC(=O)O)nc2)C1
InChIInChI=1S/C13H17N3O3/c14-9-2-1-8(5-9)13(19)16-11-4-3-10(15-7-11)6-12(17)18/h3-4,7-9H,1-2,5-6,14H2,(H,16,19)(H,17,18)
InChIKeyCZHMACKLFQYMNU-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid
CID 107338810
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid
CID 63045402
3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664
2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid
CID 107341016
3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119711689
3-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopentane-1-carboxamide
CID 119752747
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
2-[5-(azocane-1-carbonylamino)-2-pyridinyl]acetic acid
CID 107340448
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-quinoxalin-6-ylcyclopentane-1-carboxamide;hydrochloride
CID 119708395

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-aminocyclopentanecarbonyl)amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(3-aminocyclopentanecarbonyl)amino]-2-pyridinyl]acetic acid (CID 107341071) is 2-[5-[(3-aminocyclopentanecarbonyl)amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(3-aminocyclopentanecarbonyl)amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(3-aminocyclopentanecarbonyl)amino]-2-pyridinyl]acetic acid is NC1CCC(C(=O)Nc2ccc(CC(=O)O)nc2)C1.
What is the InChIKey of 2-[5-[(3-aminocyclopentanecarbonyl)amino]-2-pyridinyl]acetic acid?
The InChIKey is CZHMACKLFQYMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-9-2-1-8(5-9)13(19)16-11-4-3-10(15-7-11)6-12(17)18/h3-4,7-9H,1-2,5-6,14H2,(H,16,19)(H,17,18).
What are the key properties of 2-[5-[(3-aminocyclopentanecarbonyl)amino]-2-pyridinyl]acetic acid?
2-[5-[(3-aminocyclopentanecarbonyl)amino]-2-pyridinyl]acetic acid has a molecular weight of 263.30 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-aminocyclopentanecarbonyl)amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107341071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).