cis-(1R,3S)-2,2-dimethyl-3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid

C10H13N3O4 — CID 106394634

IUPACcis-(1R,3S)-2,2-dimethyl-3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC1(C)[C@H](C(=O)O)[C@@H]1C(=O)NCc1ncon1
InChIInChI=1S/C10H13N3O4/c1-10(2)6(7(10)9(15)16)8(14)11-3-5-12-4-17-13-5/h4,6-7H,3H2,1-2H3,(H,11,14)(H,15,16)/t6-,7+/m1/s1
InChIKeyAWLBILXXPBDRTE-RQJHMYQMSA-N
MW239.23 g/mol
LogP0.04
Rot. Bonds4

About cis-(1R,3S)-2,2-dimethyl-3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid

cis-(1R,3S)-2,2-dimethyl-3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 106394634) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is cis-(1R,3S)-2,2-dimethyl-3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-2,2-dimethyl-3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID106394634
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Namecis-(1R,3S)-2,2-dimethyl-3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC1(C)[C@H](C(=O)O)[C@@H]1C(=O)NCc1ncon1
InChIInChI=1S/C10H13N3O4/c1-10(2)6(7(10)9(15)16)8(14)11-3-5-12-4-17-13-5/h4,6-7H,3H2,1-2H3,(H,11,14)(H,15,16)/t6-,7+/m1/s1
InChIKeyAWLBILXXPBDRTE-RQJHMYQMSA-N
XLogP0.04
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1R,3S)-2,2-dimethyl-3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

2-[(3-Methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 61014852
2,2-Dimethyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 64835231
cis-(1S,2R)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93441501
2-[(5-Methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 103790334
cis-(1R,3S)-2,2-dimethyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 105636403
cis-(1S,2R)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106394546
cis-(1R,3S)-2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106394570
2,3-Dimethyl-4-(1,2,4-oxadiazol-3-ylmethylamino)-4-oxobutanoic acid
CID 106394586
2-(1,2,4-Oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106394594
3-Methyl-5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid
CID 106394605
2,2-Dimethyl-3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106394606
cis-(1S,2R)-2-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106394609

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid (CID 106394634) is cis-(1R,3S)-2,2-dimethyl-3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-2,2-dimethyl-3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-2,2-dimethyl-3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid is CC1(C)[C@H](C(=O)O)[C@@H]1C(=O)NCc1ncon1.
What is the InChIKey of cis-(1R,3S)-2,2-dimethyl-3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is AWLBILXXPBDRTE-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-10(2)6(7(10)9(15)16)8(14)11-3-5-12-4-17-13-5/h4,6-7H,3H2,1-2H3,(H,11,14)(H,15,16)/t6-,7+/m1/s1.
What are the key properties of cis-(1R,3S)-2,2-dimethyl-3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
cis-(1R,3S)-2,2-dimethyl-3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-2,2-dimethyl-3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 106394634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).