(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid

C13H24N2O3 — CID 79010361

IUPAC(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
SMILESCC1CCCN(C(=O)N[C@@H](C(=O)O)C(C)C)C1C
InChIInChI=1S/C13H24N2O3/c1-8(2)11(12(16)17)14-13(18)15-7-5-6-9(3)10(15)4/h8-11H,5-7H2,1-4H3,(H,14,18)(H,16,17)/t9?,10?,11-/m1/s1
InChIKeyPXLDLRBTNNDYAM-VQXHTEKXSA-N
MW256.35 g/mol
LogP1.93
Rot. Bonds3

About (2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid

(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 79010361) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
PubChem CID79010361
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
SMILESCC1CCCN(C(=O)N[C@@H](C(=O)O)C(C)C)C1C
InChIInChI=1S/C13H24N2O3/c1-8(2)11(12(16)17)14-13(18)15-7-5-6-9(3)10(15)4/h8-11H,5-7H2,1-4H3,(H,14,18)(H,16,17)/t9?,10?,11-/m1/s1
InChIKeyPXLDLRBTNNDYAM-VQXHTEKXSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid
CID 78986525
(2R)-3-methyl-2-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 79009778
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]-3-methylbutanoic acid
CID 104690867
2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 61191119
2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 61190709
(2R)-2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 79180632
(2S)-2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 104940992
(2S)-4-[(2,3-dimethylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 114007449
(2S)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 62122922
(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104895165
(2R)-2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonylamino)-3-methylbutanoic acid
CID 79010113
(2R)-2-(azocane-1-carbonylamino)-3-methylbutanoic acid
CID 79010449

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid (CID 79010361) is (2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid is CC1CCCN(C(=O)N[C@@H](C(=O)O)C(C)C)C1C.
What is the InChIKey of (2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is PXLDLRBTNNDYAM-VQXHTEKXSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-8(2)11(12(16)17)14-13(18)15-7-5-6-9(3)10(15)4/h8-11H,5-7H2,1-4H3,(H,14,18)(H,16,17)/t9?,10?,11-/m1/s1.
What are the key properties of (2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid?
(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 79010361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).