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

C13H24N2O3 — CID 107567056

IUPAC(2R)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N1CCCC(C)(C)C1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-6-10(11(16)17)14-12(18)15-8-5-7-13(2,3)9-15/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)/t10-/m1/s1
InChIKeyXRIWMGQLCLMBRF-SNVBAGLBSA-N
MW256.35 g/mol
LogP2.07
Rot. Bonds4

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

(2R)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]pentanoic acid (PubChem CID 107567056) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2R)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]pentanoic acid
PubChem CID107567056
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2R)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N1CCCC(C)(C)C1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-6-10(11(16)17)14-12(18)15-8-5-7-13(2,3)9-15/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)/t10-/m1/s1
InChIKeyXRIWMGQLCLMBRF-SNVBAGLBSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]hexanoic acid
CID 107146319
2-[(4,4-dimethylazepane-1-carbonyl)amino]hexanoic acid
CID 65282412
(2R)-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107567866
(2S)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 78956516
(2R)-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566957
2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 63162284
(2S)-4-hydroxy-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107829254
(2S)-2-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 107566616
(2R)-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 104876769
(2R)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107828378
2-[(4,4-dimethylazepane-1-carbonyl)amino]-5-methoxypentanoic acid
CID 81086424
N-ethyl-3,3-dimethylpiperidine-1-carboxamide
CID 115624358

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]pentanoic acid (CID 107567056) is (2R)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]pentanoic acid is CCC[C@@H](NC(=O)N1CCCC(C)(C)C1)C(=O)O.
What is the InChIKey of (2R)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]pentanoic acid?
The InChIKey is XRIWMGQLCLMBRF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-6-10(11(16)17)14-12(18)15-8-5-7-13(2,3)9-15/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]pentanoic acid?
(2R)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]pentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107567056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).