(2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoic acid

C13H24N2O3 — CID 61187523

IUPAC(2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)N1CCCCC1C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-9(2)8-11(12(16)17)14-13(18)15-7-5-4-6-10(15)3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)/t10?,11-/m0/s1
InChIKeyDLPBWOQIAMFIGZ-DTIOYNMSSA-N
MW256.35 g/mol
LogP2.07
Rot. Bonds4

About (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoic acid

(2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoic acid (PubChem CID 61187523) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoic acid
PubChem CID61187523
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)N1CCCCC1C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-9(2)8-11(12(16)17)14-13(18)15-7-5-4-6-10(15)3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)/t10?,11-/m0/s1
InChIKeyDLPBWOQIAMFIGZ-DTIOYNMSSA-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

methyl (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoate
CID 16682389
(2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid
CID 61187712
(2R)-4-methyl-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 79014111
(2R)-2-[(2-methylpiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104909758
(2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107825515
2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61209577
2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 61207647
N-butan-2-yl-2-methylpiperidine-1-carboxamide
CID 45366573
(2S)-4-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]pentanoic acid
CID 102885060
(2S)-4-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]pentanoic acid
CID 79931499
(2S)-2-[(2-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61207464
(2S)-3,3-dimethyl-2-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 61188083

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoic acid (CID 61187523) is (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoic acid is CC(C)C[C@H](NC(=O)N1CCCCC1C)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoic acid?
The InChIKey is DLPBWOQIAMFIGZ-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)8-11(12(16)17)14-13(18)15-7-5-4-6-10(15)3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)/t10?,11-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoic acid?
(2S)-4-methyl-2-[(2-methylpiperidine-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 (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 61187523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).