cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid

C11H14N2O4 — CID 106414836

IUPACcis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC1(C)[C@H](C(=O)O)[C@@H]1C(=O)NCc1ccno1
InChIInChI=1S/C11H14N2O4/c1-11(2)7(8(11)10(15)16)9(14)12-5-6-3-4-13-17-6/h3-4,7-8H,5H2,1-2H3,(H,12,14)(H,15,16)/t7-,8+/m1/s1
InChIKeyXSFSFIDZRIPVKM-SFYZADRCSA-N
MW238.24 g/mol
LogP0.65
Rot. Bonds4

About cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid

cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 106414836) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID106414836
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Namecis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC1(C)[C@H](C(=O)O)[C@@H]1C(=O)NCc1ccno1
InChIInChI=1S/C11H14N2O4/c1-11(2)7(8(11)10(15)16)9(14)12-5-6-3-4-13-17-6/h3-4,7-8H,5H2,1-2H3,(H,12,14)(H,15,16)/t7-,8+/m1/s1
InChIKeyXSFSFIDZRIPVKM-SFYZADRCSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-[(5-methylfuran-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 64835246
trans-(1S,3S)-2,2-dimethyl-3-(pyridin-4-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 52902154
2-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 106414778
N-(1,2-oxazol-5-ylmethyl)acetamide
CID 103939766
cis-(1S,3R)-2,2-dimethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 95859031
cis-(1R,3S)-3-[(4-chlorophenyl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091534
2,2-dimethyl-3-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 64835828
cis-(1S,3R)-3-[(2,6-dimethyl-4-pyridinyl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122112666
3-[(5-bromothiophen-2-yl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835040
4-(methylamino)-N-(1,2-oxazol-5-ylmethyl)oxolane-3-carboxamide
CID 106417047
1-tert-butyl-3-(1,2-oxazol-5-ylmethyl)urea
CID 106415604
cis-(1R,3S)-2,2-dimethyl-3-(1H-pyrrol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106384464

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid (CID 106414836) is cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid is CC1(C)[C@H](C(=O)O)[C@@H]1C(=O)NCc1ccno1.
What is the InChIKey of cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is XSFSFIDZRIPVKM-SFYZADRCSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-11(2)7(8(11)10(15)16)9(14)12-5-6-3-4-13-17-6/h3-4,7-8H,5H2,1-2H3,(H,12,14)(H,15,16)/t7-,8+/m1/s1.
What are the key properties of cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 0.65, 4 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-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 106414836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).