methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate

C13H15NO3 — CID 7741315

IUPACmethyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1
InChIInChI=1S/C13H15NO3/c1-8-7-11(8)12(15)14-10-5-3-9(4-6-10)13(16)17-2/h3-6,8,11H,7H2,1-2H3,(H,14,15)/t8-,11+/m1/s1
InChIKeyANBDXPWKDSKYHR-KCJUWKMLSA-N
MW233.27 g/mol
LogP2.07
Rot. Bonds3

About methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate

methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate (PubChem CID 7741315) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
PubChem CID7741315
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namemethyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1
InChIInChI=1S/C13H15NO3/c1-8-7-11(8)12(15)14-10-5-3-9(4-6-10)13(16)17-2/h3-6,8,11H,7H2,1-2H3,(H,14,15)/t8-,11+/m1/s1
InChIKeyANBDXPWKDSKYHR-KCJUWKMLSA-N
XLogP2.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate with MolForge

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Related Compounds

6-[(4-methoxycarbonylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 6465538
(2-methylcyclopropyl)methyl 4-[(2-methylcyclopropanecarbonyl)amino]benzoate
CID 47980702
methyl 4-[[2-[(4-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142627
(1R,6S)-6-[(4-methoxycarbonylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 869307
(3-methyloxetan-3-yl)methyl 4-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 94796411
methyl 4-[[6-[(4-hydroxyphenyl)carbamoyl]cyclohex-3-ene-1-carbonyl]amino]benzoate
CID 18873799
N-(2-methoxyethyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430343
methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143528
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
methyl 2-chloro-5-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 34159016
methyl 2-chloro-5-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 34159022
methyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143863

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate (CID 7741315) is methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1.
What is the InChIKey of methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate?
The InChIKey is ANBDXPWKDSKYHR-KCJUWKMLSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8-7-11(8)12(15)14-10-5-3-9(4-6-10)13(16)17-2/h3-6,8,11H,7H2,1-2H3,(H,14,15)/t8-,11+/m1/s1.
What are the key properties of methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate?
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate has a molecular weight of 233.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 7741315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).