(2S)-4-methyl-2-(piperidine-2-carbonylamino)pentanoic acid

C12H22N2O3 — CID 61160577

IUPAC(2S)-4-methyl-2-(piperidine-2-carbonylamino)pentanoic acid
SMILESCC(C)C[C@H](NC(=O)C1CCCCN1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8(2)7-10(12(16)17)14-11(15)9-5-3-4-6-13-9/h8-10,13H,3-7H2,1-2H3,(H,14,15)(H,16,17)/t9?,10-/m0/s1
InChIKeyOUXMHEQRQFTCER-AXDSSHIGSA-N
MW242.32 g/mol
LogP0.74
Rot. Bonds5

About (2S)-4-methyl-2-(piperidine-2-carbonylamino)pentanoic acid

(2S)-4-methyl-2-(piperidine-2-carbonylamino)pentanoic acid (PubChem CID 61160577) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2S)-4-methyl-2-(piperidine-2-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-(piperidine-2-carbonylamino)pentanoic acid
PubChem CID61160577
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(2S)-4-methyl-2-(piperidine-2-carbonylamino)pentanoic acid
SMILESCC(C)C[C@H](NC(=O)C1CCCCN1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8(2)7-10(12(16)17)14-11(15)9-5-3-4-6-13-9/h8-10,13H,3-7H2,1-2H3,(H,14,15)(H,16,17)/t9?,10-/m0/s1
InChIKeyOUXMHEQRQFTCER-AXDSSHIGSA-N
XLogP0.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylpentanoic acid
CID 145457574
methyl (2S)-4-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate
CID 68798809
2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid
CID 104913581
methyl (2S)-2-(azepane-2-carbonylamino)-4-methylpentanoate
CID 103954871
(2S)-3-hydroxy-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoic acid
CID 145457511
3-hydroxy-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
CID 104913543
2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid
CID 103869509
(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]propanoic acid
CID 24896838
(2S)-4-methyl-2-[[1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carbonyl]amino]pentanoic acid;hydrochloride
CID 44663757
N-(5-methylhexan-2-yl)piperidine-2-carboxamide
CID 43579330
(2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid
CID 80751621
(2S)-4-methyl-2-[[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 11858292

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(piperidine-2-carbonylamino)pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-(piperidine-2-carbonylamino)pentanoic acid (CID 61160577) is (2S)-4-methyl-2-(piperidine-2-carbonylamino)pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-(piperidine-2-carbonylamino)pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-(piperidine-2-carbonylamino)pentanoic acid is CC(C)C[C@H](NC(=O)C1CCCCN1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-(piperidine-2-carbonylamino)pentanoic acid?
The InChIKey is OUXMHEQRQFTCER-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)7-10(12(16)17)14-11(15)9-5-3-4-6-13-9/h8-10,13H,3-7H2,1-2H3,(H,14,15)(H,16,17)/t9?,10-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(piperidine-2-carbonylamino)pentanoic acid?
(2S)-4-methyl-2-(piperidine-2-carbonylamino)pentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(piperidine-2-carbonylamino)pentanoic acid is sourced from PubChem (CID 61160577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).