cis-(1R,3S)-2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid

C11H14N2O4S — CID 106379549

IUPACcis-(1R,3S)-2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)[C@H](C(=O)O)[C@@H]1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C11H14N2O4S/c1-11(2)6(7(11)9(15)16)8(14)12-3-5-4-18-10(17)13-5/h4,6-7H,3H2,1-2H3,(H,12,14)(H,13,17)(H,15,16)/t6-,7+/m1/s1
InChIKeyVMLKRMXVNGCZBI-RQJHMYQMSA-N
MW270.31 g/mol
LogP0.41
Rot. Bonds4

About cis-(1R,3S)-2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid

cis-(1R,3S)-2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 106379549) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is cis-(1R,3S)-2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID106379549
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Namecis-(1R,3S)-2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)[C@H](C(=O)O)[C@@H]1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C11H14N2O4S/c1-11(2)6(7(11)9(15)16)8(14)12-3-5-4-18-10(17)13-5/h4,6-7H,3H2,1-2H3,(H,12,14)(H,13,17)(H,15,16)/t6-,7+/m1/s1
InChIKeyVMLKRMXVNGCZBI-RQJHMYQMSA-N
XLogP0.41
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze cis-(1R,3S)-2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775054
3-[(5-bromothiophen-2-yl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835040
(2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 106381235
cis-(1R,3S)-2,2-dimethyl-3-(1H-pyrrol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106384464
2,2,3-trimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid
CID 106382833
2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 113357249
3-[(2-hydroxyphenyl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114331312
trans-(1S,3S)-2,2-dimethyl-3-(pyridin-4-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 52902154
cis-(1R,3S)-3-[(4-chlorophenyl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091534
2-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 114181701
5-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide
CID 114181445
cis-(1S,3R)-3-[(2,6-dimethyl-4-pyridinyl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122112666

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 106379549) is cis-(1R,3S)-2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid is CC1(C)[C@H](C(=O)O)[C@@H]1C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of cis-(1R,3S)-2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is VMLKRMXVNGCZBI-RQJHMYQMSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-11(2)6(7(11)9(15)16)8(14)12-3-5-4-18-10(17)13-5/h4,6-7H,3H2,1-2H3,(H,12,14)(H,13,17)(H,15,16)/t6-,7+/m1/s1.
What are the key properties of cis-(1R,3S)-2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
cis-(1R,3S)-2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 106379549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).