cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-3-ylcarbamoyl)cyclopropane-1-carboxylic acid

C10H12N2O4 — CID 95392194

IUPACcis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC1(C)[C@H](C(=O)O)[C@@H]1C(=O)Nc1ccon1
InChIInChI=1S/C10H12N2O4/c1-10(2)6(7(10)9(14)15)8(13)11-5-3-4-16-12-5/h3-4,6-7H,1-2H3,(H,14,15)(H,11,12,13)/t6-,7+/m1/s1
InChIKeyCWDMRNMLNNGVSN-RQJHMYQMSA-N
MW224.22 g/mol
LogP0.97
Rot. Bonds3

About cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-3-ylcarbamoyl)cyclopropane-1-carboxylic acid

cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-3-ylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 95392194) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-3-ylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID95392194
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Namecis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC1(C)[C@H](C(=O)O)[C@@H]1C(=O)Nc1ccon1
InChIInChI=1S/C10H12N2O4/c1-10(2)6(7(10)9(14)15)8(13)11-5-3-4-16-12-5/h3-4,6-7H,1-2H3,(H,14,15)(H,11,12,13)/t6-,7+/m1/s1
InChIKeyCWDMRNMLNNGVSN-RQJHMYQMSA-N
XLogP0.97
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-3-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-3-ylcarbamoyl)cyclopropane-1-carboxylic acid (CID 95392194) is cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-3-ylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-3-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-3-ylcarbamoyl)cyclopropane-1-carboxylic acid is CC1(C)[C@H](C(=O)O)[C@@H]1C(=O)Nc1ccon1.
What is the InChIKey of cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-3-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is CWDMRNMLNNGVSN-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-10(2)6(7(10)9(14)15)8(13)11-5-3-4-16-12-5/h3-4,6-7H,1-2H3,(H,14,15)(H,11,12,13)/t6-,7+/m1/s1.
What are the key properties of cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-3-ylcarbamoyl)cyclopropane-1-carboxylic acid?
cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-3-ylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-3-ylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 95392194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).