4-hydroxy-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid

C14H18N2O5 — CID 123895994

IUPAC4-hydroxy-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid
SMILESO=C(COc1ccccc1)NC1CN(C(=O)O)CCC1O
InChIInChI=1S/C14H18N2O5/c17-12-6-7-16(14(19)20)8-11(12)15-13(18)9-21-10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2,(H,15,18)(H,19,20)
InChIKeyIRZVYRDHJJOBDX-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.29
Rot. Bonds4

About 4-hydroxy-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid

4-hydroxy-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid (PubChem CID 123895994) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-hydroxy-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid
PubChem CID123895994
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name4-hydroxy-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid
SMILESO=C(COc1ccccc1)NC1CN(C(=O)O)CCC1O
InChIInChI=1S/C14H18N2O5/c17-12-6-7-16(14(19)20)8-11(12)15-13(18)9-21-10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2,(H,15,18)(H,19,20)
InChIKeyIRZVYRDHJJOBDX-UHFFFAOYSA-N
XLogP0.29
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-phenoxyacetamide
CID 5092006
4-oxo-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid
CID 123275165
(3S,4S)-3-[(2-chloroacetyl)amino]-4-hydroxypiperidine-1-carboxylic acid
CID 139510459
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide
CID 110164138
tert-butyl (3R)-3-[(2-phenoxyacetyl)amino]pyrrolidine-1-carboxylate
CID 96510561
4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid
CID 68885629
N-[2-(aminomethyl)cyclopentyl]-2-phenoxyacetamide;hydrochloride
CID 119601101
2-(4-ethoxyphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide
CID 108556308
formic acid;N-[(3R,4R)-4-hydroxy-1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidin-3-yl]-2-phenoxyacetamide
CID 163333924
N-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide
CID 11162770
N-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-2-phenoxyacetamide
CID 78199659

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-hydroxy-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid (CID 123895994) is 4-hydroxy-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid is O=C(COc1ccccc1)NC1CN(C(=O)O)CCC1O.
What is the InChIKey of 4-hydroxy-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid?
The InChIKey is IRZVYRDHJJOBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c17-12-6-7-16(14(19)20)8-11(12)15-13(18)9-21-10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2,(H,15,18)(H,19,20).
What are the key properties of 4-hydroxy-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid?
4-hydroxy-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 123895994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).