4-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-4-oxobutanoic acid

C11H19NO4 — CID 129371127

IUPAC4-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-4-oxobutanoic acid
SMILESC[C@H](O)[C@@H]1CCCCN1C(=O)CCC(=O)O
InChIInChI=1S/C11H19NO4/c1-8(13)9-4-2-3-7-12(9)10(14)5-6-11(15)16/h8-9,13H,2-7H2,1H3,(H,15,16)/t8-,9-/m0/s1
InChIKeyXAYGBPIJYBCHAF-IUCAKERBSA-N
MW229.28 g/mol
LogP0.61
Rot. Bonds4

About 4-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-4-oxobutanoic acid

4-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-4-oxobutanoic acid (PubChem CID 129371127) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-4-oxobutanoic acid
PubChem CID129371127
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name4-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-4-oxobutanoic acid
SMILESC[C@H](O)[C@@H]1CCCCN1C(=O)CCC(=O)O
InChIInChI=1S/C11H19NO4/c1-8(13)9-4-2-3-7-12(9)10(14)5-6-11(15)16/h8-9,13H,2-7H2,1H3,(H,15,16)/t8-,9-/m0/s1
InChIKeyXAYGBPIJYBCHAF-IUCAKERBSA-N
XLogP0.61
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 130621072
1-[2-(1-hydroxyethyl)piperidin-1-yl]octadecan-1-one
CID 174408643
1-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129371121
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484
1-[2-(1-aminoethyl)piperidin-1-yl]pentan-1-one
CID 63255456
(2S)-2-amino-1-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129493927
(2S)-2-amino-1-[(2R)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129493925
3-[3-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 99776966
tert-butyl 2-[(1R)-1-hydroxyethyl]piperidine-1-carboxylate
CID 130691829
4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 129359557
tert-butyl (2S)-2-[(1S)-1-hydroxyethyl]piperidine-1-carboxylate
CID 94855628
4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
CID 43222532

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-4-oxobutanoic acid (CID 129371127) is 4-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-4-oxobutanoic acid is C[C@H](O)[C@@H]1CCCCN1C(=O)CCC(=O)O.
What is the InChIKey of 4-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-4-oxobutanoic acid?
The InChIKey is XAYGBPIJYBCHAF-IUCAKERBSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8(13)9-4-2-3-7-12(9)10(14)5-6-11(15)16/h8-9,13H,2-7H2,1H3,(H,15,16)/t8-,9-/m0/s1.
What are the key properties of 4-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-4-oxobutanoic acid?
4-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-4-oxobutanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 129371127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).