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

C9H18N2O2 — CID 88930533

IUPAC2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
SMILESCC(=O)[C@H](C)NC(=O)C(N)C(C)C
InChIInChI=1S/C9H18N2O2/c1-5(2)8(10)9(13)11-6(3)7(4)12/h5-6,8H,10H2,1-4H3,(H,11,13)/t6-,8?/m0/s1
InChIKeyQIAVAVZEYVSHDN-UUEFVBAFSA-N
MW186.25 g/mol
LogP0.06
Rot. Bonds4

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

2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide (PubChem CID 88930533) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
PubChem CID88930533
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
SMILESCC(=O)[C@H](C)NC(=O)C(N)C(C)C
InChIInChI=1S/C9H18N2O2/c1-5(2)8(10)9(13)11-6(3)7(4)12/h5-6,8H,10H2,1-4H3,(H,11,13)/t6-,8?/m0/s1
InChIKeyQIAVAVZEYVSHDN-UUEFVBAFSA-N
XLogP0.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide
CID 61467429
2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide
CID 90262242
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
CID 61154394
tert-butyl 2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoate
CID 87406078
3-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]propanoic acid
CID 170549773
(2R)-2-amino-3-methyl-N-[(3S)-2-oxohexan-3-yl]butanamide
CID 59277979
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 25120389
(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 6997293
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]butanedioic acid
CID 87647599
2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 54863272
(2R)-2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 79013484
(2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide
CID 61148058

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide?
The IUPAC name of 2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide (CID 88930533) is 2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide?
The canonical SMILES for 2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide is CC(=O)[C@H](C)NC(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide?
The InChIKey is QIAVAVZEYVSHDN-UUEFVBAFSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-5(2)8(10)9(13)11-6(3)7(4)12/h5-6,8H,10H2,1-4H3,(H,11,13)/t6-,8?/m0/s1.
What are the key properties of 2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide?
2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide has a molecular weight of 186.25 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide is sourced from PubChem (CID 88930533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).