4-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid

C13H20N2O4 — CID 102961866

IUPAC4-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESCC1CCN(C(=O)NC2C=CC(C(=O)O)C2)CC1O
InChIInChI=1S/C13H20N2O4/c1-8-4-5-15(7-11(8)16)13(19)14-10-3-2-9(6-10)12(17)18/h2-3,8-11,16H,4-7H2,1H3,(H,14,19)(H,17,18)
InChIKeyNBYAVAXEUWNPHX-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.43
Rot. Bonds2

About 4-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid

4-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 102961866) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID102961866
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name4-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESCC1CCN(C(=O)NC2C=CC(C(=O)O)C2)CC1O
InChIInChI=1S/C13H20N2O4/c1-8-4-5-15(7-11(8)16)13(19)14-10-3-2-9(6-10)12(17)18/h2-3,8-11,16H,4-7H2,1H3,(H,14,19)(H,17,18)
InChIKeyNBYAVAXEUWNPHX-UHFFFAOYSA-N
XLogP0.43
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(4-methylazepane-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216790
4-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 113418295
4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79215858
4-(thiomorpholine-4-carbonylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216909
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 102962212
4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79211540
4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216190
4-[(2-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216891
N-cyclopentyl-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896284
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 102727428
4-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79191673
(3-hydroxy-4-methylpiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 103900359

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid (CID 102961866) is 4-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid is CC1CCN(C(=O)NC2C=CC(C(=O)O)C2)CC1O.
What is the InChIKey of 4-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is NBYAVAXEUWNPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-8-4-5-15(7-11(8)16)13(19)14-10-3-2-9(6-10)12(17)18/h2-3,8-11,16H,4-7H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 4-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
4-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 102961866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).