2-[1-[(3-methoxycarbonyl-2-pyridinyl)amino]cyclopentyl]acetic acid

C14H18N2O4 — CID 64700190

IUPAC2-[1-[(3-methoxycarbonyl-2-pyridinyl)amino]cyclopentyl]acetic acid
SMILESCOC(=O)c1cccnc1NC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H18N2O4/c1-20-13(19)10-5-4-8-15-12(10)16-14(9-11(17)18)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,16)(H,17,18)
InChIKeySCVAPLWMPUUPKF-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.07
Rot. Bonds5

About 2-[1-[(3-methoxycarbonyl-2-pyridinyl)amino]cyclopentyl]acetic acid

2-[1-[(3-methoxycarbonyl-2-pyridinyl)amino]cyclopentyl]acetic acid (PubChem CID 64700190) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[1-[(3-methoxycarbonyl-2-pyridinyl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-methoxycarbonyl-2-pyridinyl)amino]cyclopentyl]acetic acid
PubChem CID64700190
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[1-[(3-methoxycarbonyl-2-pyridinyl)amino]cyclopentyl]acetic acid
SMILESCOC(=O)c1cccnc1NC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H18N2O4/c1-20-13(19)10-5-4-8-15-12(10)16-14(9-11(17)18)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,16)(H,17,18)
InChIKeySCVAPLWMPUUPKF-UHFFFAOYSA-N
XLogP2.07
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-3-carboxylate
CID 62526363
2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid
CID 64700995
2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid
CID 64701184
2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxamide
CID 55082636
methyl 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-3-carboxylate
CID 115309040
methyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate
CID 104695593
2-[1-[(2-methoxypyridine-3-carbonyl)amino]cyclobutyl]acetic acid
CID 79848236
2-[1-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclopentyl]acetic acid
CID 104729585
methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]pyridine-3-carboxylate
CID 105418983
2-[1-[(5-bromoisoquinolin-1-yl)amino]cyclopentyl]acetic acid
CID 106536221
2-[1-[(3-carbamoylpyrazin-2-yl)amino]cyclohexyl]acetic acid
CID 64702363
methyl 2-[[(1-ethylcyclobutyl)amino]methyl]pyridine-3-carboxylate
CID 114198795

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxycarbonyl-2-pyridinyl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(3-methoxycarbonyl-2-pyridinyl)amino]cyclopentyl]acetic acid (CID 64700190) is 2-[1-[(3-methoxycarbonyl-2-pyridinyl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-methoxycarbonyl-2-pyridinyl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(3-methoxycarbonyl-2-pyridinyl)amino]cyclopentyl]acetic acid is COC(=O)c1cccnc1NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[(3-methoxycarbonyl-2-pyridinyl)amino]cyclopentyl]acetic acid?
The InChIKey is SCVAPLWMPUUPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-13(19)10-5-4-8-15-12(10)16-14(9-11(17)18)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[1-[(3-methoxycarbonyl-2-pyridinyl)amino]cyclopentyl]acetic acid?
2-[1-[(3-methoxycarbonyl-2-pyridinyl)amino]cyclopentyl]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxycarbonyl-2-pyridinyl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64700190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).