2-[[(2R)-butan-2-yl]-(1,2-oxazole-3-carbonyl)amino]acetic acid

C10H14N2O4 — CID 94000771

IUPAC2-[[(2R)-butan-2-yl]-(1,2-oxazole-3-carbonyl)amino]acetic acid
SMILESCC[C@@H](C)N(CC(=O)O)C(=O)c1ccon1
InChIInChI=1S/C10H14N2O4/c1-3-7(2)12(6-9(13)14)10(15)8-4-5-16-11-8/h4-5,7H,3,6H2,1-2H3,(H,13,14)/t7-/m1/s1
InChIKeySPVRDZQXTWHRBZ-SSDOTTSWSA-N
MW226.23 g/mol
LogP1.00
Rot. Bonds5

About 2-[[(2R)-butan-2-yl]-(1,2-oxazole-3-carbonyl)amino]acetic acid

2-[[(2R)-butan-2-yl]-(1,2-oxazole-3-carbonyl)amino]acetic acid (PubChem CID 94000771) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-[[(2R)-butan-2-yl]-(1,2-oxazole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-butan-2-yl]-(1,2-oxazole-3-carbonyl)amino]acetic acid
PubChem CID94000771
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-[[(2R)-butan-2-yl]-(1,2-oxazole-3-carbonyl)amino]acetic acid
SMILESCC[C@@H](C)N(CC(=O)O)C(=O)c1ccon1
InChIInChI=1S/C10H14N2O4/c1-3-7(2)12(6-9(13)14)10(15)8-4-5-16-11-8/h4-5,7H,3,6H2,1-2H3,(H,13,14)/t7-/m1/s1
InChIKeySPVRDZQXTWHRBZ-SSDOTTSWSA-N
XLogP1.00
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Piperidinocarbonyl)isoxazole
CID 61565011
N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-1,2-oxazole-3-carboxamide
CID 60243389
N-(1-hydroxy-4,4-dimethylpentan-2-yl)-1,2-oxazole-3-carboxamide
CID 84594032
[4-(2-Ethoxyethyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 132377234
N-(2-methylpropyl)-1,2-oxazole-3-carbohydrazide;2,2,2-trifluoroacetic acid
CID 69500003
N-ethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
CID 154200133
N-(3-fluorocyclobutyl)-1,2-oxazole-3-carboxamide
CID 176235299
N-[(2S)-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide
CID 134855701
1-(1,2-Oxazole-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709963
N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxamide
CID 71858992
2-[1,2-Oxazole-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258380
3,3,3-Trifluoro-2-methyl-2-(1,2-oxazole-3-carbonylamino)propanoic acid
CID 79792053

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-butan-2-yl]-(1,2-oxazole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[[(2R)-butan-2-yl]-(1,2-oxazole-3-carbonyl)amino]acetic acid (CID 94000771) is 2-[[(2R)-butan-2-yl]-(1,2-oxazole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[[(2R)-butan-2-yl]-(1,2-oxazole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[[(2R)-butan-2-yl]-(1,2-oxazole-3-carbonyl)amino]acetic acid is CC[C@@H](C)N(CC(=O)O)C(=O)c1ccon1.
What is the InChIKey of 2-[[(2R)-butan-2-yl]-(1,2-oxazole-3-carbonyl)amino]acetic acid?
The InChIKey is SPVRDZQXTWHRBZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-3-7(2)12(6-9(13)14)10(15)8-4-5-16-11-8/h4-5,7H,3,6H2,1-2H3,(H,13,14)/t7-/m1/s1.
What are the key properties of 2-[[(2R)-butan-2-yl]-(1,2-oxazole-3-carbonyl)amino]acetic acid?
2-[[(2R)-butan-2-yl]-(1,2-oxazole-3-carbonyl)amino]acetic acid has a molecular weight of 226.23 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-butan-2-yl]-(1,2-oxazole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 94000771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).