2-[1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid

C16H22N2O3 — CID 114954620

IUPAC2-[1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCc1ccncc1CNC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C16H22N2O3/c1-12-4-7-17-10-13(12)11-18-14(19)8-16(9-15(20)21)5-2-3-6-16/h4,7,10H,2-3,5-6,8-9,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyJVHBXNOVVFEOMQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.43
Rot. Bonds6

About 2-[1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 114954620) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID114954620
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCc1ccncc1CNC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C16H22N2O3/c1-12-4-7-17-10-13(12)11-18-14(19)8-16(9-15(20)21)5-2-3-6-16/h4,7,10H,2-3,5-6,8-9,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyJVHBXNOVVFEOMQ-UHFFFAOYSA-N
XLogP2.43
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-[(3-methyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 114698483
2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 63671201
2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]cyclohexyl]acetic acid
CID 2738302
2-[1-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]cyclopentyl]acetic acid
CID 61283476
2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-3-pyridinyl)acetamide
CID 104678205
N-[(4-methyl-3-pyridinyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 107036589
2-[1-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]cyclopentyl]acetic acid
CID 60722581
1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea
CID 114955224
2-methyl-3-[(4-methyl-3-pyridinyl)methylcarbamoylamino]propanoic acid
CID 114957107
2-[1-[2-oxo-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]cyclopentyl]acetic acid
CID 81392956
4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid
CID 114957277
1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402226

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid (CID 114954620) is 2-[1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid is Cc1ccncc1CNC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is JVHBXNOVVFEOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-4-7-17-10-13(12)11-18-14(19)8-16(9-15(20)21)5-2-3-6-16/h4,7,10H,2-3,5-6,8-9,11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 114954620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).