2-[(3R)-3-hydroxy-3-[(S)-hydroxy(phenyl)methyl]-2-oxopiperidin-1-yl]acetic acid

C14H17NO5 — CID 15519845

IUPAC2-[(3R)-3-hydroxy-3-[(S)-hydroxy(phenyl)methyl]-2-oxopiperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC[C@@](O)([C@@H](O)c2ccccc2)C1=O
InChIInChI=1S/C14H17NO5/c16-11(17)9-15-8-4-7-14(20,13(15)19)12(18)10-5-2-1-3-6-10/h1-3,5-6,12,18,20H,4,7-9H2,(H,16,17)/t12-,14+/m0/s1
InChIKeyNSQTYOVUFGJKQK-GXTWGEPZSA-N
MW279.29 g/mol
LogP0.16
Rot. Bonds4

About 2-[(3R)-3-hydroxy-3-[(S)-hydroxy(phenyl)methyl]-2-oxopiperidin-1-yl]acetic acid

2-[(3R)-3-hydroxy-3-[(S)-hydroxy(phenyl)methyl]-2-oxopiperidin-1-yl]acetic acid (PubChem CID 15519845) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[(3R)-3-hydroxy-3-[(S)-hydroxy(phenyl)methyl]-2-oxopiperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-3-hydroxy-3-[(S)-hydroxy(phenyl)methyl]-2-oxopiperidin-1-yl]acetic acid
PubChem CID15519845
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-[(3R)-3-hydroxy-3-[(S)-hydroxy(phenyl)methyl]-2-oxopiperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC[C@@](O)([C@@H](O)c2ccccc2)C1=O
InChIInChI=1S/C14H17NO5/c16-11(17)9-15-8-4-7-14(20,13(15)19)12(18)10-5-2-1-3-6-10/h1-3,5-6,12,18,20H,4,7-9H2,(H,16,17)/t12-,14+/m0/s1
InChIKeyNSQTYOVUFGJKQK-GXTWGEPZSA-N
XLogP0.16
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

tert-butyl 2-[(3R)-3-hydroxy-3-[(S)-hydroxy(phenyl)methyl]-2-oxopiperidin-1-yl]acetate
CID 100949440
benzyl 2-[(3R)-3-hydroxy-3-[(S)-hydroxy(phenyl)methyl]-2-oxopiperidin-1-yl]acetate
CID 100949439
1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-3,3-diphenylpiperidin-2-one
CID 53386258
2-(2-oxo-3-phenylpiperidin-1-yl)acetic acid
CID 67358702
2-(2-oxo-3-phenyl-1,3-diazinan-1-yl)acetic acid
CID 43831623
2-[(3S)-2-oxo-3-(1-phenylethylamino)piperidin-1-yl]acetic acid
CID 70269620
2-[[1-(carboxymethyl)-3-methyl-2-oxopyrrolidin-3-yl]amino]-4-phenylbutanoic acid
CID 14183659
2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080387
ethyl 2-[(3R)-3-benzyl-3-hydroxy-2-oxopiperidin-1-yl]acetate
CID 100949445
2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 67357191
2-(1-acetyl-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)acetic acid
CID 90330211
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-hydroxy-3-[(S)-hydroxy(phenyl)methyl]-2-oxopiperidin-1-yl]acetic acid?
The IUPAC name of 2-[(3R)-3-hydroxy-3-[(S)-hydroxy(phenyl)methyl]-2-oxopiperidin-1-yl]acetic acid (CID 15519845) is 2-[(3R)-3-hydroxy-3-[(S)-hydroxy(phenyl)methyl]-2-oxopiperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-3-hydroxy-3-[(S)-hydroxy(phenyl)methyl]-2-oxopiperidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3R)-3-hydroxy-3-[(S)-hydroxy(phenyl)methyl]-2-oxopiperidin-1-yl]acetic acid is O=C(O)CN1CCC[C@@](O)([C@@H](O)c2ccccc2)C1=O.
What is the InChIKey of 2-[(3R)-3-hydroxy-3-[(S)-hydroxy(phenyl)methyl]-2-oxopiperidin-1-yl]acetic acid?
The InChIKey is NSQTYOVUFGJKQK-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H17NO5/c16-11(17)9-15-8-4-7-14(20,13(15)19)12(18)10-5-2-1-3-6-10/h1-3,5-6,12,18,20H,4,7-9H2,(H,16,17)/t12-,14+/m0/s1.
What are the key properties of 2-[(3R)-3-hydroxy-3-[(S)-hydroxy(phenyl)methyl]-2-oxopiperidin-1-yl]acetic acid?
2-[(3R)-3-hydroxy-3-[(S)-hydroxy(phenyl)methyl]-2-oxopiperidin-1-yl]acetic acid has a molecular weight of 279.29 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-hydroxy-3-[(S)-hydroxy(phenyl)methyl]-2-oxopiperidin-1-yl]acetic acid is sourced from PubChem (CID 15519845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).