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

C14H26N2O3 — CID 62931544

IUPAC(2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid
SMILESCCC(C)[C@H](NC(=O)N1CCC(C)(C)CC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-5-10(2)11(12(17)18)15-13(19)16-8-6-14(3,4)7-9-16/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)/t10?,11-/m0/s1
InChIKeyWBIDUHRXNDPXHX-DTIOYNMSSA-N
MW270.37 g/mol
LogP2.32
Rot. Bonds4

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

(2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid (PubChem CID 62931544) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid
PubChem CID62931544
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid
SMILESCCC(C)[C@H](NC(=O)N1CCC(C)(C)CC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-5-10(2)11(12(17)18)15-13(19)16-8-6-14(3,4)7-9-16/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)/t10?,11-/m0/s1
InChIKeyWBIDUHRXNDPXHX-DTIOYNMSSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid
CID 51420775
(2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid
CID 103500332
3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid
CID 61405662
(2S,3S)-2-[(4-aminopiperidine-1-carbonyl)amino]-3-methylpentanoic acid
CID 61402964
(2S)-2-[(4-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid
CID 61422004
3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 61440018
(2S,3S)-3-methyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid
CID 63614221
(2S)-3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 61440255
(2S)-3-methyl-2-(1,4-thiazepane-4-carbonylamino)pentanoic acid
CID 61423283
(2S,3S)-3-methyl-2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]pentanoic acid
CID 62992431
(2S)-2-(3,6-dihydro-2H-pyridine-1-carbonylamino)-3-methylpentanoic acid
CID 104921445
2-[(3-methoxypiperidine-1-carbonyl)amino]-3-methylpentanoic acid
CID 102963015

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid?
The IUPAC name of (2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid (CID 62931544) is (2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid is CCC(C)[C@H](NC(=O)N1CCC(C)(C)CC1)C(=O)O.
What is the InChIKey of (2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid?
The InChIKey is WBIDUHRXNDPXHX-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-10(2)11(12(17)18)15-13(19)16-8-6-14(3,4)7-9-16/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)/t10?,11-/m0/s1.
What are the key properties of (2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid?
(2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 62931544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).