(2R)-2-amino-3-methyl-N-[(3S)-2-oxohexan-3-yl]butanamide

C11H22N2O2 — CID 59277979

IUPAC(2R)-2-amino-3-methyl-N-[(3S)-2-oxohexan-3-yl]butanamide
SMILESCCC[C@H](NC(=O)[C@H](N)C(C)C)C(C)=O
InChIInChI=1S/C11H22N2O2/c1-5-6-9(8(4)14)13-11(15)10(12)7(2)3/h7,9-10H,5-6,12H2,1-4H3,(H,13,15)/t9-,10+/m0/s1
InChIKeyGPGGSFACLDCPDY-VHSXEESVSA-N
MW214.31 g/mol
LogP0.84
Rot. Bonds6

About (2R)-2-amino-3-methyl-N-[(3S)-2-oxohexan-3-yl]butanamide

(2R)-2-amino-3-methyl-N-[(3S)-2-oxohexan-3-yl]butanamide (PubChem CID 59277979) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-[(3S)-2-oxohexan-3-yl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-[(3S)-2-oxohexan-3-yl]butanamide
PubChem CID59277979
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2R)-2-amino-3-methyl-N-[(3S)-2-oxohexan-3-yl]butanamide
SMILESCCC[C@H](NC(=O)[C@H](N)C(C)C)C(C)=O
InChIInChI=1S/C11H22N2O2/c1-5-6-9(8(4)14)13-11(15)10(12)7(2)3/h7,9-10H,5-6,12H2,1-4H3,(H,13,15)/t9-,10+/m0/s1
InChIKeyGPGGSFACLDCPDY-VHSXEESVSA-N
XLogP0.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide
CID 61148058
(2S)-2-[(2-amino-3-methylbutanoyl)amino]hexanoic acid
CID 107147000
2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 88930533
CID 59124121
CID 59124121
(2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide
CID 106230696
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107825208
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]hexanoic acid
CID 54546738
methyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoate
CID 101237851
(2R)-5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid
CID 114006033
methyl (2S)-2-[[(2R)-2-methylpentanoyl]amino]pentanoate
CID 59054765
(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylsulfanylbutanoic acid
CID 73351643
(2R)-2-[[(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoic acid
CID 145458879

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-[(3S)-2-oxohexan-3-yl]butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-[(3S)-2-oxohexan-3-yl]butanamide (CID 59277979) is (2R)-2-amino-3-methyl-N-[(3S)-2-oxohexan-3-yl]butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-[(3S)-2-oxohexan-3-yl]butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-[(3S)-2-oxohexan-3-yl]butanamide is CCC[C@H](NC(=O)[C@H](N)C(C)C)C(C)=O.
What is the InChIKey of (2R)-2-amino-3-methyl-N-[(3S)-2-oxohexan-3-yl]butanamide?
The InChIKey is GPGGSFACLDCPDY-VHSXEESVSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-6-9(8(4)14)13-11(15)10(12)7(2)3/h7,9-10H,5-6,12H2,1-4H3,(H,13,15)/t9-,10+/m0/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-[(3S)-2-oxohexan-3-yl]butanamide?
(2R)-2-amino-3-methyl-N-[(3S)-2-oxohexan-3-yl]butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-[(3S)-2-oxohexan-3-yl]butanamide is sourced from PubChem (CID 59277979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).