(3S)-3-amino-5-methyl-N-(3-methylbutyl)-2-oxohexanamide

C12H24N2O2 — CID 15719282

IUPAC(3S)-3-amino-5-methyl-N-(3-methylbutyl)-2-oxohexanamide
SMILESCC(C)CCNC(=O)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C12H24N2O2/c1-8(2)5-6-14-12(16)11(15)10(13)7-9(3)4/h8-10H,5-7,13H2,1-4H3,(H,14,16)/t10-/m0/s1
InChIKeyUMFZPDYJEBDCBD-JTQLQIEISA-N
MW228.34 g/mol
LogP1.09
Rot. Bonds7

About (3S)-3-amino-5-methyl-N-(3-methylbutyl)-2-oxohexanamide

(3S)-3-amino-5-methyl-N-(3-methylbutyl)-2-oxohexanamide (PubChem CID 15719282) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (3S)-3-amino-5-methyl-N-(3-methylbutyl)-2-oxohexanamide.

Molecular Properties

Compound Name(3S)-3-amino-5-methyl-N-(3-methylbutyl)-2-oxohexanamide
PubChem CID15719282
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(3S)-3-amino-5-methyl-N-(3-methylbutyl)-2-oxohexanamide
SMILESCC(C)CCNC(=O)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C12H24N2O2/c1-8(2)5-6-14-12(16)11(15)10(13)7-9(3)4/h8-10H,5-7,13H2,1-4H3,(H,14,16)/t10-/m0/s1
InChIKeyUMFZPDYJEBDCBD-JTQLQIEISA-N
XLogP1.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic acid ((S)-1-acetyl-2,2-dimethyl-propyl)-amide
CID 10424884
2-(methylamino)-N-[(3S)-5-methyl-2-oxohexan-3-yl]acetamide
CID 59002736
Acetoacetamide, N-(1,4-dimethylpentyl)-
CID 51857
N-Acetylglycyl-L-lysyl-L-leucinamide
CID 71369766
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide
CID 90674949
Ac-leu-nhme
CID 6950977
(3R)-3-amino-5-methyl-N-(3-methylbutyl)-2-oxohexanamide
CID 15719283
Glycylleucinamid
CID 6994313
(3S,6S)-3-(4-aminobutyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 57393165
(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanamide
CID 87787079
(2S)-2-[[(2S)-2-acetamido-4-aminobutanoyl]amino]-4-methylpentanamide
CID 138590883
(2S)-2-[[(2S)-2-acetamido-3-aminopropanoyl]amino]-4-methylpentanamide
CID 138590999

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-5-methyl-N-(3-methylbutyl)-2-oxohexanamide?
The IUPAC name of (3S)-3-amino-5-methyl-N-(3-methylbutyl)-2-oxohexanamide (CID 15719282) is (3S)-3-amino-5-methyl-N-(3-methylbutyl)-2-oxohexanamide.
What is the SMILES notation for (3S)-3-amino-5-methyl-N-(3-methylbutyl)-2-oxohexanamide?
The canonical SMILES for (3S)-3-amino-5-methyl-N-(3-methylbutyl)-2-oxohexanamide is CC(C)CCNC(=O)C(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (3S)-3-amino-5-methyl-N-(3-methylbutyl)-2-oxohexanamide?
The InChIKey is UMFZPDYJEBDCBD-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8(2)5-6-14-12(16)11(15)10(13)7-9(3)4/h8-10H,5-7,13H2,1-4H3,(H,14,16)/t10-/m0/s1.
What are the key properties of (3S)-3-amino-5-methyl-N-(3-methylbutyl)-2-oxohexanamide?
(3S)-3-amino-5-methyl-N-(3-methylbutyl)-2-oxohexanamide has a molecular weight of 228.34 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-5-methyl-N-(3-methylbutyl)-2-oxohexanamide is sourced from PubChem (CID 15719282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).