(2S)-2-amino-3,3-dimethyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide

C12H24N2O2 — CID 54216384

IUPAC(2S)-2-amino-3,3-dimethyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
SMILESCC(C)C[C@@H](C=O)NC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-8(2)6-9(7-15)14-11(16)10(13)12(3,4)5/h7-10H,6,13H2,1-5H3,(H,14,16)/t9-,10+/m0/s1
InChIKeyIQEWZECHVGACII-VHSXEESVSA-N
MW228.34 g/mol
LogP1.09
Rot. Bonds5

About (2S)-2-amino-3,3-dimethyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide (PubChem CID 54216384) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
PubChem CID54216384
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
SMILESCC(C)C[C@@H](C=O)NC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-8(2)6-9(7-15)14-11(16)10(13)12(3,4)5/h7-10H,6,13H2,1-5H3,(H,14,16)/t9-,10+/m0/s1
InChIKeyIQEWZECHVGACII-VHSXEESVSA-N
XLogP1.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Acetylleucyl-leucyl-norleucinal
CID 443118
AC-Leu-val-lys-aldehyde
CID 7408462
Ac-Leu-Leu-Leu-al
CID 9864840
N-Acetyl-Leucyl-Leucinal
CID 18458068
2-Acetylamino-4-methyl-pentanoic acid [1-(5-amino-1-formyl-pentylcarbamoyl)-3-methyl-butyl]-amide
CID 73345753
2-(methylamino)-N-[(3S)-5-methyl-2-oxohexan-3-yl]acetamide
CID 59002736
(2S)-2-amino-N-[(1S)-1-formyl-3-methyl-butyl]-4-methyl-pentanamide
CID 484685
Ac-leu-nhme
CID 6950977
(R)-2-Formylaminomethyl-hexanoic acid ((S)-1-dimethylcarbamoyl-2,2-dimethyl-propyl)-amide
CID 44345924
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide
CID 10612186
Glycylleucinamid
CID 6994313
2-Acetylamino-4-methyl-pentanoic acid [1-(1-formyl-butylcarbamoyl)-3-methyl-butyl]-amide
CID 9999177

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide (CID 54216384) is (2S)-2-amino-3,3-dimethyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide is CC(C)C[C@@H](C=O)NC(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide?
The InChIKey is IQEWZECHVGACII-VHSXEESVSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8(2)6-9(7-15)14-11(16)10(13)12(3,4)5/h7-10H,6,13H2,1-5H3,(H,14,16)/t9-,10+/m0/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide has a molecular weight of 228.34 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide is sourced from PubChem (CID 54216384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).