methyl 3-[(1S)-1-amino-2-methylpropyl]-1,2-oxazole-5-carboxylate

C9H14N2O3 — CID 142637039

IUPACmethyl 3-[(1S)-1-amino-2-methylpropyl]-1,2-oxazole-5-carboxylate
SMILESCOC(=O)c1cc([C@@H](N)C(C)C)no1
InChIInChI=1S/C9H14N2O3/c1-5(2)8(10)6-4-7(14-11-6)9(12)13-3/h4-5,8H,10H2,1-3H3/t8-/m0/s1
InChIKeySDHFYOXIRDXLRB-QMMMGPOBSA-N
MW198.22 g/mol
LogP1.12
Rot. Bonds3

About methyl 3-[(1S)-1-amino-2-methylpropyl]-1,2-oxazole-5-carboxylate

methyl 3-[(1S)-1-amino-2-methylpropyl]-1,2-oxazole-5-carboxylate (PubChem CID 142637039) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is methyl 3-[(1S)-1-amino-2-methylpropyl]-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(1S)-1-amino-2-methylpropyl]-1,2-oxazole-5-carboxylate
PubChem CID142637039
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Namemethyl 3-[(1S)-1-amino-2-methylpropyl]-1,2-oxazole-5-carboxylate
SMILESCOC(=O)c1cc([C@@H](N)C(C)C)no1
InChIInChI=1S/C9H14N2O3/c1-5(2)8(10)6-4-7(14-11-6)9(12)13-3/h4-5,8H,10H2,1-3H3/t8-/m0/s1
InChIKeySDHFYOXIRDXLRB-QMMMGPOBSA-N
XLogP1.12
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-aminoethyl)-1,2-oxazole-5-carboxylic acid
CID 67395403
methyl 3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazole-5-carboxylate
CID 22262066
3-(3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxylic acid
CID 130506929
methyl 3-(2-hydroxybutanoyloxy)-1,2-oxazole-5-carboxylate
CID 90880259
3-hydroxy-2-[(5-methoxycarbonyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 155969876
methyl 3-(3,3-difluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate
CID 67777697
methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate
CID 776547
ethyl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate
CID 59421483
methyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate
CID 85299406
methyl 3-[[(2S,3R)-2-hydroxy-3-methylpentyl]carbamoyl]-1,2-oxazole-5-carboxylate
CID 124844062
3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 90573752
N,N-dimethyl-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 130669877

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1S)-1-amino-2-methylpropyl]-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-[(1S)-1-amino-2-methylpropyl]-1,2-oxazole-5-carboxylate (CID 142637039) is methyl 3-[(1S)-1-amino-2-methylpropyl]-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-[(1S)-1-amino-2-methylpropyl]-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-[(1S)-1-amino-2-methylpropyl]-1,2-oxazole-5-carboxylate is COC(=O)c1cc([C@@H](N)C(C)C)no1.
What is the InChIKey of methyl 3-[(1S)-1-amino-2-methylpropyl]-1,2-oxazole-5-carboxylate?
The InChIKey is SDHFYOXIRDXLRB-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-5(2)8(10)6-4-7(14-11-6)9(12)13-3/h4-5,8H,10H2,1-3H3/t8-/m0/s1.
What are the key properties of methyl 3-[(1S)-1-amino-2-methylpropyl]-1,2-oxazole-5-carboxylate?
methyl 3-[(1S)-1-amino-2-methylpropyl]-1,2-oxazole-5-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1S)-1-amino-2-methylpropyl]-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 142637039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).