2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid

C12H18N2O4 — CID 119225874

IUPAC2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
SMILESCCC(CC)c1cc(C(=O)NC(C)C(=O)O)on1
InChIInChI=1S/C12H18N2O4/c1-4-8(5-2)9-6-10(18-14-9)11(15)13-7(3)12(16)17/h6-8H,4-5H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyQGAUFMNNTMINFP-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.78
Rot. Bonds6

About 2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid

2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid (PubChem CID 119225874) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
PubChem CID119225874
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
SMILESCCC(CC)c1cc(C(=O)NC(C)C(=O)O)on1
InChIInChI=1S/C12H18N2O4/c1-4-8(5-2)9-6-10(18-14-9)11(15)13-7(3)12(16)17/h6-8H,4-5H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyQGAUFMNNTMINFP-UHFFFAOYSA-N
XLogP1.78
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119212226
(2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 28777806
2-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 119199841
2,2-dimethyl-3-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119250422
N-[3-(methylamino)propyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119429935
N-(1-amino-2,3-dimethylbutan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119605837
4-[[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]methyl]benzoic acid
CID 119165631
N-(2-amino-1-cyclohexylethyl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119589284
(2S)-4-methyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119360862
3-butan-2-yl-N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-5-carboxamide
CID 110001735
N-(1-amino-2,4-dimethylpentan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119597712
3-pentan-3-yl-N-pyrazin-2-yl-1,2-oxazole-5-carboxamide
CID 86794715

Frequently Asked Questions

What is the IUPAC name of 2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid (CID 119225874) is 2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid is CCC(CC)c1cc(C(=O)NC(C)C(=O)O)on1.
What is the InChIKey of 2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The InChIKey is QGAUFMNNTMINFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-4-8(5-2)9-6-10(18-14-9)11(15)13-7(3)12(16)17/h6-8H,4-5H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid has a molecular weight of 254.29 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119225874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).