(2R)-2-amino-3-methyl-N-(1,2-oxazol-4-yl)butanamide

C8H13N3O2 — CID 79013276

IUPAC(2R)-2-amino-3-methyl-N-(1,2-oxazol-4-yl)butanamide
SMILESCC(C)[C@@H](N)C(=O)Nc1cnoc1
InChIInChI=1S/C8H13N3O2/c1-5(2)7(9)8(12)11-6-3-10-13-4-6/h3-5,7H,9H2,1-2H3,(H,11,12)/t7-/m1/s1
InChIKeyQNLIAWTVOMFEBZ-SSDOTTSWSA-N
MW183.21 g/mol
LogP0.60
Rot. Bonds3

About (2R)-2-amino-3-methyl-N-(1,2-oxazol-4-yl)butanamide

(2R)-2-amino-3-methyl-N-(1,2-oxazol-4-yl)butanamide (PubChem CID 79013276) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-(1,2-oxazol-4-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-(1,2-oxazol-4-yl)butanamide
PubChem CID79013276
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name(2R)-2-amino-3-methyl-N-(1,2-oxazol-4-yl)butanamide
SMILESCC(C)[C@@H](N)C(=O)Nc1cnoc1
InChIInChI=1S/C8H13N3O2/c1-5(2)7(9)8(12)11-6-3-10-13-4-6/h3-5,7H,9H2,1-2H3,(H,11,12)/t7-/m1/s1
InChIKeyQNLIAWTVOMFEBZ-SSDOTTSWSA-N
XLogP0.60
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-4-methyl-N-(1,2-oxazol-4-yl)pentanamide
CID 94893498
2-cyano-N-(1,2-oxazol-4-yl)propanamide
CID 62903125
2-amino-3-methoxy-N-(1,2-oxazol-4-yl)propanamide
CID 81088554
2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide
CID 119317714
2-amino-3-methyl-N-(1H-pyrazol-4-yl)butanamide
CID 43540260
(2S)-2-amino-3-cyclopentyl-N-(1,2-oxazol-4-yl)propanamide
CID 177043206
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
N-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 119300729
(2S)-2-amino-3-methyl-N-(5-methyl-3-pyridinyl)butanamide;dihydrochloride
CID 119884719
2-amino-N-(4-chlorophenyl)-3-methylbutanamide
CID 18994324
2-amino-2-ethyl-N-(1,2-oxazol-4-yl)butanamide
CID 79815107
4-[[(2S)-2-amino-3-methylbutanoyl]amino]benzamide
CID 22690703

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-(1,2-oxazol-4-yl)butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-(1,2-oxazol-4-yl)butanamide (CID 79013276) is (2R)-2-amino-3-methyl-N-(1,2-oxazol-4-yl)butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-(1,2-oxazol-4-yl)butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-(1,2-oxazol-4-yl)butanamide is CC(C)[C@@H](N)C(=O)Nc1cnoc1.
What is the InChIKey of (2R)-2-amino-3-methyl-N-(1,2-oxazol-4-yl)butanamide?
The InChIKey is QNLIAWTVOMFEBZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5(2)7(9)8(12)11-6-3-10-13-4-6/h3-5,7H,9H2,1-2H3,(H,11,12)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-(1,2-oxazol-4-yl)butanamide?
(2R)-2-amino-3-methyl-N-(1,2-oxazol-4-yl)butanamide has a molecular weight of 183.21 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-(1,2-oxazol-4-yl)butanamide is sourced from PubChem (CID 79013276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).