(2R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-2-carboxamide

C11H21N3O2 — CID 106344923

IUPAC(2R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-2-carboxamide
SMILESCC(C)C(NC(=O)[C@H]1CCCCN1)C(N)=O
InChIInChI=1S/C11H21N3O2/c1-7(2)9(10(12)15)14-11(16)8-5-3-4-6-13-8/h7-9,13H,3-6H2,1-2H3,(H2,12,15)(H,14,16)/t8-,9?/m1/s1
InChIKeyHYGTWIOUDJXCRQ-VEDVMXKPSA-N
MW227.31 g/mol
LogP-0.25
Rot. Bonds4

About (2R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-2-carboxamide

(2R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-2-carboxamide (PubChem CID 106344923) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (2R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-2-carboxamide
PubChem CID106344923
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(2R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-2-carboxamide
SMILESCC(C)C(NC(=O)[C@H]1CCCCN1)C(N)=O
InChIInChI=1S/C11H21N3O2/c1-7(2)9(10(12)15)14-11(16)8-5-3-4-6-13-8/h7-9,13H,3-6H2,1-2H3,(H2,12,15)(H,14,16)/t8-,9?/m1/s1
InChIKeyHYGTWIOUDJXCRQ-VEDVMXKPSA-N
XLogP-0.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]butanoate
CID 11778633
methyl 3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate
CID 104913149
(2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
CID 61155752
2-(azocane-2-carbonylamino)-3-hydroxybutanoic acid
CID 114240096
N-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide
CID 114240215
(2S)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide
CID 57438438
(2R)-N-(3-hydroxybutan-2-yl)piperidine-2-carboxamide
CID 130934408
(2R)-N-[(1R)-1-cyclopentylethyl]piperidine-2-carboxamide
CID 104914395
N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 163300708
methyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate
CID 14278857
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
N-[(1S)-1-cyclopentylethyl]azepane-2-carboxamide
CID 81390656

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-2-carboxamide (CID 106344923) is (2R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-2-carboxamide is CC(C)C(NC(=O)[C@H]1CCCCN1)C(N)=O.
What is the InChIKey of (2R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-2-carboxamide?
The InChIKey is HYGTWIOUDJXCRQ-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-7(2)9(10(12)15)14-11(16)8-5-3-4-6-13-8/h7-9,13H,3-6H2,1-2H3,(H2,12,15)(H,14,16)/t8-,9?/m1/s1.
What are the key properties of (2R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-2-carboxamide?
(2R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-2-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-2-carboxamide is sourced from PubChem (CID 106344923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).