3-hydroxy-3-methyl-4-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid

C11H20N2O4 — CID 81133727

IUPAC3-hydroxy-3-methyl-4-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
SMILESCC(O)(CNC(=O)[C@@H]1CCCNC1)CC(=O)O
InChIInChI=1S/C11H20N2O4/c1-11(17,5-9(14)15)7-13-10(16)8-3-2-4-12-6-8/h8,12,17H,2-7H2,1H3,(H,13,16)(H,14,15)/t8-,11?/m1/s1
InChIKeyDUKGLJNDIVAXRJ-RZZZFEHKSA-N
MW244.29 g/mol
LogP-0.67
Rot. Bonds5

About 3-hydroxy-3-methyl-4-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid

3-hydroxy-3-methyl-4-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid (PubChem CID 81133727) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-4-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-methyl-4-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
PubChem CID81133727
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-hydroxy-3-methyl-4-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
SMILESCC(O)(CNC(=O)[C@@H]1CCCNC1)CC(=O)O
InChIInChI=1S/C11H20N2O4/c1-11(17,5-9(14)15)7-13-10(16)8-3-2-4-12-6-8/h8,12,17H,2-7H2,1H3,(H,13,16)(H,14,15)/t8-,11?/m1/s1
InChIKeyDUKGLJNDIVAXRJ-RZZZFEHKSA-N
XLogP-0.67
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-3-methyl-4-(pyrrolidine-3-carbonylamino)butanoic acid
CID 66003959
(3S)-N-(2-hydroxy-4-methoxy-2-methylbutyl)piperidine-3-carboxamide
CID 106254036
N-(2-methoxy-2-methylpropyl)piperidine-3-carboxamide
CID 115734334
N-(2-hydroxy-2-methylbutyl)pyrrolidine-3-carboxamide
CID 65106728
N-(2,2,3,3,3-pentafluoropropyl)piperidine-3-carboxamide
CID 162568495
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
(3S)-N-(2,2-difluoro-3-hydroxypropyl)piperidine-3-carboxamide
CID 106176675
2-hydroxy-2-methyl-3-(pyrrolidine-3-carbonylamino)propanoic acid
CID 66177040
(3S)-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide
CID 114164701
methyl 2-(piperidine-3-carbonylamino)acetate
CID 60913799
4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 79527583
(3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
CID 113327524

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-4-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid?
The IUPAC name of 3-hydroxy-3-methyl-4-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid (CID 81133727) is 3-hydroxy-3-methyl-4-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-3-methyl-4-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 3-hydroxy-3-methyl-4-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid is CC(O)(CNC(=O)[C@@H]1CCCNC1)CC(=O)O.
What is the InChIKey of 3-hydroxy-3-methyl-4-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid?
The InChIKey is DUKGLJNDIVAXRJ-RZZZFEHKSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(17,5-9(14)15)7-13-10(16)8-3-2-4-12-6-8/h8,12,17H,2-7H2,1H3,(H,13,16)(H,14,15)/t8-,11?/m1/s1.
What are the key properties of 3-hydroxy-3-methyl-4-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid?
3-hydroxy-3-methyl-4-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.67, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-4-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 81133727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).