2-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopentyl]acetic acid

C14H18N2O3 — CID 937666

IUPAC2-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)Nc2cccnc2)CCCC1
InChIInChI=1S/C14H18N2O3/c17-12(16-11-4-3-7-15-10-11)8-14(9-13(18)19)5-1-2-6-14/h3-4,7,10H,1-2,5-6,8-9H2,(H,16,17)(H,18,19)
InChIKeyUQFSYMCWTUJXHD-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.45
Rot. Bonds5

About 2-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopentyl]acetic acid

2-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopentyl]acetic acid (PubChem CID 937666) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopentyl]acetic acid
PubChem CID937666
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)Nc2cccnc2)CCCC1
InChIInChI=1S/C14H18N2O3/c17-12(16-11-4-3-7-15-10-11)8-14(9-13(18)19)5-1-2-6-14/h3-4,7,10H,1-2,5-6,8-9H2,(H,16,17)(H,18,19)
InChIKeyUQFSYMCWTUJXHD-UHFFFAOYSA-N
XLogP2.45
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-Pyridyl)alanine
CID 152953
2-(1-{2-Oxo-2-[(4-pyridinylmethyl)amino]ethyl}cyclohexyl)acetic acid
CID 2738272
2-(1-{2-Oxo-2-[(2-pyridinylmethyl)amino]ethyl}cyclohexyl)acetic acid
CID 2738302
2,4-Dimethyl-6-[(3-pyridinylamino)carbonyl]-3-cyclohexene-1-carboxylic acid
CID 3122276
4-methyl-6-(pyridin-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic Acid
CID 2942262
2-[1-[2-[(6-Methoxy-3-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 2348766
3-(3-Pyridyl)-D-alanine
CID 1268144
6-(Pyridin-3-ylcarbamoyl)-cyclohex-3-enecarboxylic acid
CID 2911789
beta-(3-Pyridyl)-DL-alanine
CID 314100
5-Oxo-5-[(2-pyridinylmethyl)amino]pentanoic acid
CID 2169470
Cyclopentanecarboxylic acid, 3-((3-pyridinylamino)carbonyl)-1,2,2-trimethyl-, monosodium salt, (1R-cis)-
CID 23681916
Methyl 3-(5-aminopyridin-3-yl)propanoate
CID 75458087

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopentyl]acetic acid (CID 937666) is 2-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)Nc2cccnc2)CCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopentyl]acetic acid?
The InChIKey is UQFSYMCWTUJXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-12(16-11-4-3-7-15-10-11)8-14(9-13(18)19)5-1-2-6-14/h3-4,7,10H,1-2,5-6,8-9H2,(H,16,17)(H,18,19).
What are the key properties of 2-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopentyl]acetic acid?
2-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopentyl]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 937666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).