cis-(1R,3S)-2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid

C11H15N3O4 — CID 106394570

IUPACcis-(1R,3S)-2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1nc(CNC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)no1
InChIInChI=1S/C11H15N3O4/c1-5-13-6(14-18-5)4-12-9(15)7-8(10(16)17)11(7,2)3/h7-8H,4H2,1-3H3,(H,12,15)(H,16,17)/t7-,8+/m1/s1
InChIKeySRNZNUIBFNRRLZ-SFYZADRCSA-N
MW253.26 g/mol
LogP0.35
Rot. Bonds4

About cis-(1R,3S)-2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid

cis-(1R,3S)-2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 106394570) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is cis-(1R,3S)-2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID106394570
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namecis-(1R,3S)-2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1nc(CNC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)no1
InChIInChI=1S/C11H15N3O4/c1-5-13-6(14-18-5)4-12-9(15)7-8(10(16)17)11(7,2)3/h7-8H,4H2,1-3H3,(H,12,15)(H,16,17)/t7-,8+/m1/s1
InChIKeySRNZNUIBFNRRLZ-SFYZADRCSA-N
XLogP0.35
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1R,3S)-2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

2,2-Dimethyl-3-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]cyclopropane-1-carboxylic acid
CID 132971786
2-Methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxo-2-propan-2-ylbutanoic acid
CID 54903505
2,2-Diethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 54903552
2-[(3-Methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 61014852
3,3-Dimethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-5-oxopentanoic acid
CID 62934083
3-Methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-5-oxopentanoic acid
CID 62965780
5-[3-(3-Methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 64058469
5-[3-(3-Propyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 64061097
3-[3-[2-(Diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835188
2,2-Dimethyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 64835231
2,2-Dimethyl-3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 64835385
2,2-Dimethyl-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 64835573

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 106394570) is cis-(1R,3S)-2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid is Cc1nc(CNC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)no1.
What is the InChIKey of cis-(1R,3S)-2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is SRNZNUIBFNRRLZ-SFYZADRCSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-5-13-6(14-18-5)4-12-9(15)7-8(10(16)17)11(7,2)3/h7-8H,4H2,1-3H3,(H,12,15)(H,16,17)/t7-,8+/m1/s1.
What are the key properties of cis-(1R,3S)-2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
cis-(1R,3S)-2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.35, 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-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 106394570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).