(3R,5S)-5-methoxy-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid

C15H19NO5 — CID 58284767

IUPAC(3R,5S)-5-methoxy-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
SMILESCO[C@H]1C[C@@H](C(=O)O)CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H19NO5/c1-20-13-7-12(14(17)18)8-16(9-13)15(19)21-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,17,18)/t12-,13+/m1/s1
InChIKeyBXFGPCPYCUOXBV-OLZOCXBDSA-N
MW293.32 g/mol
LogP1.74
Rot. Bonds4

About (3R,5S)-5-methoxy-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid

(3R,5S)-5-methoxy-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid (PubChem CID 58284767) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is (3R,5S)-5-methoxy-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,5S)-5-methoxy-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
PubChem CID58284767
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(3R,5S)-5-methoxy-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
SMILESCO[C@H]1C[C@@H](C(=O)O)CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H19NO5/c1-20-13-7-12(14(17)18)8-16(9-13)15(19)21-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,17,18)/t12-,13+/m1/s1
InChIKeyBXFGPCPYCUOXBV-OLZOCXBDSA-N
XLogP1.74
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5S)-5-acetyloxy-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
CID 124650170
bis(1-O-benzyl 3-O-methyl (3R,5R)-5-hydroxypiperidine-1,3-dicarboxylate);1-O-benzyl 3-O-methyl (3S,5S)-5-hydroxypiperidine-1,3-dicarboxylate;1-O-benzyl 3-O-methyl (3R,5R)-5-methoxypiperidine-1,3-dicarboxylate
CID 158493517
(3R,5S)-5-(dimethylamino)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
CID 125458452
benzyl (3S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 142802088
benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane
CID 143474656
1-(1-phenylmethoxycarbonylazetidin-3-yl)azetidine-3-carboxylic acid
CID 45072504
(3S,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 58284680
(3S,5S)-5-(4-methylpiperidin-1-yl)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
CID 125458380
benzyl 3-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 76773278
benzyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 46939493
benzyl 3,3-difluoro-5-methoxypiperidine-1-carboxylate
CID 177327029
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-methoxy-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid?
The IUPAC name of (3R,5S)-5-methoxy-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid (CID 58284767) is (3R,5S)-5-methoxy-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R,5S)-5-methoxy-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R,5S)-5-methoxy-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid is CO[C@H]1C[C@@H](C(=O)O)CN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of (3R,5S)-5-methoxy-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid?
The InChIKey is BXFGPCPYCUOXBV-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-13-7-12(14(17)18)8-16(9-13)15(19)21-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,17,18)/t12-,13+/m1/s1.
What are the key properties of (3R,5S)-5-methoxy-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid?
(3R,5S)-5-methoxy-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-methoxy-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 58284767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).