2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid

C15H19NO5 — CID 163342503

IUPAC2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid
SMILESO=C(O)CC1(O)CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H19NO5/c17-13(18)9-15(20)7-4-8-16(11-15)14(19)21-10-12-5-2-1-3-6-12/h1-3,5-6,20H,4,7-11H2,(H,17,18)
InChIKeyKOQRVJOFOFPHAB-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.62
Rot. Bonds4

About 2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid

2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid (PubChem CID 163342503) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid
PubChem CID163342503
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid
SMILESO=C(O)CC1(O)CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H19NO5/c17-13(18)9-15(20)7-4-8-16(11-15)14(19)21-10-12-5-2-1-3-6-12/h1-3,5-6,20H,4,7-11H2,(H,17,18)
InChIKeyKOQRVJOFOFPHAB-UHFFFAOYSA-N
XLogP1.62
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate
CID 134177582
benzyl piperidine-1-carboxylate
CID 158057698
benzyl (3R)-3-cyano-3-hydroxypiperidine-1-carboxylate
CID 98124909
benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 119081423
benzyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate
CID 71649497
benzyl 3-amino-3-(aminomethyl)piperidine-1-carboxylate
CID 164535142
benzyl 4-hydroxy-4-phenylazepane-1-carboxylate
CID 138755008
2-(4-methyl-1-phenylmethoxycarbonylpiperidin-4-yl)acetic acid
CID 167735638
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 3-methoxy-3-methylpiperidine-1-carboxylate
CID 130477377
benzyl 3-amino-3-ethylpiperidine-1-carboxylate
CID 165464075
3-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylate
CID 134129406

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid?
The IUPAC name of 2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid (CID 163342503) is 2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid.
What is the SMILES notation for 2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid?
The canonical SMILES for 2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid is O=C(O)CC1(O)CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of 2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid?
The InChIKey is KOQRVJOFOFPHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c17-13(18)9-15(20)7-4-8-16(11-15)14(19)21-10-12-5-2-1-3-6-12/h1-3,5-6,20H,4,7-11H2,(H,17,18).
What are the key properties of 2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid?
2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid has a molecular weight of 293.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid is sourced from PubChem (CID 163342503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).