1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

C11H14N2O4 — CID 115449567

IUPAC1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1noc(C)c1C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C11H14N2O4/c1-6-8(7(2)17-13-6)9(14)12-5-11(3-4-11)10(15)16/h3-5H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyVRIQPMUUIURAHB-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.89
Rot. Bonds4

About 1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115449567) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115449567
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1noc(C)c1C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C11H14N2O4/c1-6-8(7(2)17-13-6)9(14)12-5-11(3-4-11)10(15)16/h3-5H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyVRIQPMUUIURAHB-UHFFFAOYSA-N
XLogP0.89
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438216
1-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312008
1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434434
N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 146074999
1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449811
1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544348
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 95177201
5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 62032150
1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120545063
1-[[(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 136952749
4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylbutanoic acid
CID 80538543
1-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362336

Frequently Asked Questions

What is the IUPAC name of 1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115449567) is 1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is Cc1noc(C)c1C(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is VRIQPMUUIURAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6-8(7(2)17-13-6)9(14)12-5-11(3-4-11)10(15)16/h3-5H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115449567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).