1-cyclopentyloxycarbonyl-3-hydroxypiperidine-3-carboxylic acid

C12H19NO5 — CID 167914251

IUPAC1-cyclopentyloxycarbonyl-3-hydroxypiperidine-3-carboxylic acid
SMILESO=C(OC1CCCC1)N1CCCC(O)(C(=O)O)C1
InChIInChI=1S/C12H19NO5/c14-10(15)12(17)6-3-7-13(8-12)11(16)18-9-4-1-2-5-9/h9,17H,1-8H2,(H,14,15)
InChIKeyLUSRPYGTVXCYIR-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.98
Rot. Bonds2

About 1-cyclopentyloxycarbonyl-3-hydroxypiperidine-3-carboxylic acid

1-cyclopentyloxycarbonyl-3-hydroxypiperidine-3-carboxylic acid (PubChem CID 167914251) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-cyclopentyloxycarbonyl-3-hydroxypiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyloxycarbonyl-3-hydroxypiperidine-3-carboxylic acid
PubChem CID167914251
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name1-cyclopentyloxycarbonyl-3-hydroxypiperidine-3-carboxylic acid
SMILESO=C(OC1CCCC1)N1CCCC(O)(C(=O)O)C1
InChIInChI=1S/C12H19NO5/c14-10(15)12(17)6-3-7-13(8-12)11(16)18-9-4-1-2-5-9/h9,17H,1-8H2,(H,14,15)
InChIKeyLUSRPYGTVXCYIR-UHFFFAOYSA-N
XLogP0.98
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl 4,4-dimethylpiperidine-1-carboxylate
CID 165444759
cyclobutyl 4-methylpiperazine-1-carboxylate
CID 131024600
1-acetyl-N-(2-cycloheptyloxyethyl)-3-hydroxypiperidine-3-carboxamide
CID 128987745
3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 146130229
5-(1-cyclopentyloxycarbonylpiperidin-4-yl)-1-methyltriazole-4-carboxylic acid
CID 138005754
1-[2-(dibenzylamino)acetyl]-3-hydroxypiperidine-3-carboxylic acid
CID 154869321
3-cyclobutyloxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 84715377
1-(cyclohexanecarbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119250882
cyclopentyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 141269509
1-ethylsulfonyl-3-hydroxypiperidine-3-carboxylic acid
CID 130861327
9H-fluoren-9-ylmethyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate
CID 130560080
(3-aminocyclohexyl) pyrrolidine-1-carboxylate
CID 79465438

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxycarbonyl-3-hydroxypiperidine-3-carboxylic acid?
The IUPAC name of 1-cyclopentyloxycarbonyl-3-hydroxypiperidine-3-carboxylic acid (CID 167914251) is 1-cyclopentyloxycarbonyl-3-hydroxypiperidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopentyloxycarbonyl-3-hydroxypiperidine-3-carboxylic acid?
The canonical SMILES for 1-cyclopentyloxycarbonyl-3-hydroxypiperidine-3-carboxylic acid is O=C(OC1CCCC1)N1CCCC(O)(C(=O)O)C1.
What is the InChIKey of 1-cyclopentyloxycarbonyl-3-hydroxypiperidine-3-carboxylic acid?
The InChIKey is LUSRPYGTVXCYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c14-10(15)12(17)6-3-7-13(8-12)11(16)18-9-4-1-2-5-9/h9,17H,1-8H2,(H,14,15).
What are the key properties of 1-cyclopentyloxycarbonyl-3-hydroxypiperidine-3-carboxylic acid?
1-cyclopentyloxycarbonyl-3-hydroxypiperidine-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxycarbonyl-3-hydroxypiperidine-3-carboxylic acid is sourced from PubChem (CID 167914251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).