(2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid

C14H26N2O3 — CID 104874475

IUPAC(2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)N1CCC(C)C(C)C1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-9(2)7-12(13(17)18)15-14(19)16-6-5-10(3)11(4)8-16/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18)/t10?,11?,12-/m1/s1
InChIKeyBGYAATXXXLCZIH-HTAVTVPLSA-N
MW270.37 g/mol
LogP2.17
Rot. Bonds4

About (2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid

(2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 104874475) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
PubChem CID104874475
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)N1CCC(C)C(C)C1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-9(2)7-12(13(17)18)15-14(19)16-6-5-10(3)11(4)8-16/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18)/t10?,11?,12-/m1/s1
InChIKeyBGYAATXXXLCZIH-HTAVTVPLSA-N
XLogP2.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]propanoic acid
CID 112735129
2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61438947
(2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid
CID 79165632
(2R)-4-methyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 78944969
2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61199167
2-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 62083485
(2S)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61185431
(2S)-2-[(3-ethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61203541
4-methyl-2-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]pentanoic acid
CID 62967106
(2R)-2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonylamino)-4-methylpentanoic acid
CID 79943683
(2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 102961873
(2R)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-4-methylpentanoic acid
CID 78976051

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid (CID 104874475) is (2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)N1CCC(C)C(C)C1)C(=O)O.
What is the InChIKey of (2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is BGYAATXXXLCZIH-HTAVTVPLSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-9(2)7-12(13(17)18)15-14(19)16-6-5-10(3)11(4)8-16/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18)/t10?,11?,12-/m1/s1.
What are the key properties of (2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid?
(2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 104874475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).