(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid

C14H17NO4 — CID 736538

IUPAC(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H17NO4/c16-13(17)12-7-4-8-15(9-12)14(18)19-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,17)/t12-/m1/s1
InChIKeyFFLPIVZNYJKKDM-GFCCVEGCSA-N
MW263.29 g/mol
LogP2.12
Rot. Bonds3

About (3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid

(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid (PubChem CID 736538) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
PubChem CID736538
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H17NO4/c16-13(17)12-7-4-8-15(9-12)14(18)19-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,17)/t12-/m1/s1
InChIKeyFFLPIVZNYJKKDM-GFCCVEGCSA-N
XLogP2.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid (CID 736538) is (3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of (3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid?
The InChIKey is FFLPIVZNYJKKDM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17NO4/c16-13(17)12-7-4-8-15(9-12)14(18)19-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,17)/t12-/m1/s1.
What are the key properties of (3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid?
(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 736538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).