(2R)-4-hydroxy-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid

C10H16N2O5 — CID 107822931

IUPAC(2R)-4-hydroxy-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
SMILESO=C1CCC(C(=O)N[C@H](CCO)C(=O)O)CN1
InChIInChI=1S/C10H16N2O5/c13-4-3-7(10(16)17)12-9(15)6-1-2-8(14)11-5-6/h6-7,13H,1-5H2,(H,11,14)(H,12,15)(H,16,17)/t6?,7-/m1/s1
InChIKeyLOJFFDONMUWBNL-COBSHVIPSA-N
MW244.25 g/mol
LogP-1.54
Rot. Bonds5

About (2R)-4-hydroxy-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid

(2R)-4-hydroxy-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid (PubChem CID 107822931) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
PubChem CID107822931
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name(2R)-4-hydroxy-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
SMILESO=C1CCC(C(=O)N[C@H](CCO)C(=O)O)CN1
InChIInChI=1S/C10H16N2O5/c13-4-3-7(10(16)17)12-9(15)6-1-2-8(14)11-5-6/h6-7,13H,1-5H2,(H,11,14)(H,12,15)(H,16,17)/t6?,7-/m1/s1
InChIKeyLOJFFDONMUWBNL-COBSHVIPSA-N
XLogP-1.54
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(6-oxopiperidine-3-carbonyl)amino]pentanedioic acid
CID 83193700
(2S)-5-amino-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid
CID 83191997
(2R)-2-[(6-oxopiperidine-3-carbonyl)amino]hexanedioic acid
CID 107831330
4-methylsulfonyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 83193550
(2S)-5-ethoxy-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid
CID 107039270
(2R)-4-hydroxy-2-(pyrrolidine-3-carbonylamino)butanoic acid
CID 107825270
N-(4-hydroxy-1-methoxybutan-2-yl)-6-oxopiperidine-3-carboxamide
CID 103850894
(2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid
CID 107824929
(2R)-2-(cyclobutanecarbonylamino)-4-hydroxybutanoic acid
CID 107823219
2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid
CID 83192791
(2S)-5-methoxy-5-oxo-2-[(5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107820415
(2S,3S)-3-methyl-2-[[(3R)-6-oxopiperidine-3-carbonyl]amino]pentanoic acid
CID 129380712

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid (CID 107822931) is (2R)-4-hydroxy-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid is O=C1CCC(C(=O)N[C@H](CCO)C(=O)O)CN1.
What is the InChIKey of (2R)-4-hydroxy-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid?
The InChIKey is LOJFFDONMUWBNL-COBSHVIPSA-N. The full InChI is InChI=1S/C10H16N2O5/c13-4-3-7(10(16)17)12-9(15)6-1-2-8(14)11-5-6/h6-7,13H,1-5H2,(H,11,14)(H,12,15)(H,16,17)/t6?,7-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid?
(2R)-4-hydroxy-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid has a molecular weight of 244.25 g/mol, XLogP of -1.54, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107822931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).