cis-(1S,3R)-2,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid

C11H14N2O4 — CID 95389924

IUPACcis-(1S,3R)-2,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)on1
InChIInChI=1S/C11H14N2O4/c1-5-4-6(17-13-5)12-9(14)7-8(10(15)16)11(7,2)3/h4,7-8H,1-3H3,(H,12,14)(H,15,16)/t7-,8+/m0/s1
InChIKeyCRAKSNUNNNVEJS-JGVFFNPUSA-N
MW238.24 g/mol
LogP1.28
Rot. Bonds3

About cis-(1S,3R)-2,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid

cis-(1S,3R)-2,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 95389924) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is cis-(1S,3R)-2,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-2,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID95389924
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Namecis-(1S,3R)-2,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)on1
InChIInChI=1S/C11H14N2O4/c1-5-4-6(17-13-5)12-9(14)7-8(10(15)16)11(7,2)3/h4,7-8H,1-3H3,(H,12,14)(H,15,16)/t7-,8+/m0/s1
InChIKeyCRAKSNUNNNVEJS-JGVFFNPUSA-N
XLogP1.28
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-2,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-2,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 95389924) is cis-(1S,3R)-2,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-2,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-2,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid is Cc1cc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)on1.
What is the InChIKey of cis-(1S,3R)-2,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is CRAKSNUNNNVEJS-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-5-4-6(17-13-5)12-9(14)7-8(10(15)16)11(7,2)3/h4,7-8H,1-3H3,(H,12,14)(H,15,16)/t7-,8+/m0/s1.
What are the key properties of cis-(1S,3R)-2,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,3R)-2,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-2,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 95389924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).