2,2,3-trimethyl-3-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid

C13H24N2O3 — CID 81133383

IUPAC2,2,3-trimethyl-3-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
SMILESCC(C)(NC(=O)[C@@H]1CCCNC1)C(C)(C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-12(2,11(17)18)13(3,4)15-10(16)9-6-5-7-14-8-9/h9,14H,5-8H2,1-4H3,(H,15,16)(H,17,18)/t9-/m1/s1
InChIKeyDZYPTABEZIEHMD-SECBINFHSA-N
MW256.35 g/mol
LogP0.99
Rot. Bonds4

About 2,2,3-trimethyl-3-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid

2,2,3-trimethyl-3-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid (PubChem CID 81133383) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
PubChem CID81133383
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2,2,3-trimethyl-3-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
SMILESCC(C)(NC(=O)[C@@H]1CCCNC1)C(C)(C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-12(2,11(17)18)13(3,4)15-10(16)9-6-5-7-14-8-9/h9,14H,5-8H2,1-4H3,(H,15,16)(H,17,18)/t9-/m1/s1
InChIKeyDZYPTABEZIEHMD-SECBINFHSA-N
XLogP0.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butylpiperidine-3-carboxamide;hydrochloride
CID 56832046
3,3,3-trifluoro-2-methyl-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid
CID 81133598
2-methyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 79798226
3-(cyclopropanecarbonylamino)-2,2,3-trimethylbutanoic acid
CID 65261547
2-ethyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 79804533
(3S)-N-(2-methylpentan-2-yl)piperidine-3-carboxamide
CID 104862424
2-methyl-2-(pyrrolidine-3-carbonylamino)propanoic acid
CID 63005212
2,2,3-trimethyl-3-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 83191699
2,2,3-trimethyl-3-(3-piperidin-3-ylpropanoylamino)butanoic acid
CID 65265781
(3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide
CID 104828245
ethane;(3R)-N-methylpiperidine-3-carboxamide
CID 145422305
(3R)-N-[2-(tert-butylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 81123823

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid (CID 81133383) is 2,2,3-trimethyl-3-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid is CC(C)(NC(=O)[C@@H]1CCCNC1)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid?
The InChIKey is DZYPTABEZIEHMD-SECBINFHSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-12(2,11(17)18)13(3,4)15-10(16)9-6-5-7-14-8-9/h9,14H,5-8H2,1-4H3,(H,15,16)(H,17,18)/t9-/m1/s1.
What are the key properties of 2,2,3-trimethyl-3-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid?
2,2,3-trimethyl-3-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 81133383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).