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

C12H20N2O4 — CID 119361063

IUPAC(2S)-4-methyl-2-[(2-oxopiperidine-4-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)C1CCNC(=O)C1)C(=O)O
InChIInChI=1S/C12H20N2O4/c1-7(2)5-9(12(17)18)14-11(16)8-3-4-13-10(15)6-8/h7-9H,3-6H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)/t8?,9-/m0/s1
InChIKeyRFBZONRVXZDKRT-GKAPJAKFSA-N
MW256.30 g/mol
LogP0.13
Rot. Bonds5

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

(2S)-4-methyl-2-[(2-oxopiperidine-4-carbonyl)amino]pentanoic acid (PubChem CID 119361063) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(2-oxopiperidine-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(2-oxopiperidine-4-carbonyl)amino]pentanoic acid
PubChem CID119361063
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(2S)-4-methyl-2-[(2-oxopiperidine-4-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)C1CCNC(=O)C1)C(=O)O
InChIInChI=1S/C12H20N2O4/c1-7(2)5-9(12(17)18)14-11(16)8-3-4-13-10(15)6-8/h7-9H,3-6H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)/t8?,9-/m0/s1
InChIKeyRFBZONRVXZDKRT-GKAPJAKFSA-N
XLogP0.13
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
CID 104769141
(2S)-4-methyl-2-[(2-methylpiperidine-4-carbonyl)amino]pentanoic acid
CID 106739654
N-[(2R)-1-aminopropan-2-yl]-2-oxopiperidine-4-carboxamide
CID 130874972
(2S)-2-[[3,5-bis[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 132574091
2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid;pyrrolidine
CID 131713003
2-oxo-N-(1-phenylethyl)piperidine-4-carboxamide
CID 110682047
3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550597
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 43353286
(2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 79527272
2-[(1,1-dioxothiolane-3-carbonyl)amino]-4-methylpentanoic acid
CID 43353310

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(2-oxopiperidine-4-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[(2-oxopiperidine-4-carbonyl)amino]pentanoic acid (CID 119361063) is (2S)-4-methyl-2-[(2-oxopiperidine-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[(2-oxopiperidine-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[(2-oxopiperidine-4-carbonyl)amino]pentanoic acid is CC(C)C[C@H](NC(=O)C1CCNC(=O)C1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[(2-oxopiperidine-4-carbonyl)amino]pentanoic acid?
The InChIKey is RFBZONRVXZDKRT-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-7(2)5-9(12(17)18)14-11(16)8-3-4-13-10(15)6-8/h7-9H,3-6H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)/t8?,9-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(2-oxopiperidine-4-carbonyl)amino]pentanoic acid?
(2S)-4-methyl-2-[(2-oxopiperidine-4-carbonyl)amino]pentanoic acid has a molecular weight of 256.30 g/mol, XLogP of 0.13, 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-[(2-oxopiperidine-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119361063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).