methyl 3-(2-cyclopropylpropanoylamino)benzoate

C14H17NO3 — CID 79506267

IUPACmethyl 3-(2-cyclopropylpropanoylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)C(C)C2CC2)c1
InChIInChI=1S/C14H17NO3/c1-9(10-6-7-10)13(16)15-12-5-3-4-11(8-12)14(17)18-2/h3-5,8-10H,6-7H2,1-2H3,(H,15,16)
InChIKeyLMDBJRYGUOSKMJ-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.46
Rot. Bonds4

About methyl 3-(2-cyclopropylpropanoylamino)benzoate

methyl 3-(2-cyclopropylpropanoylamino)benzoate (PubChem CID 79506267) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl 3-(2-cyclopropylpropanoylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-cyclopropylpropanoylamino)benzoate
PubChem CID79506267
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namemethyl 3-(2-cyclopropylpropanoylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)C(C)C2CC2)c1
InChIInChI=1S/C14H17NO3/c1-9(10-6-7-10)13(16)15-12-5-3-4-11(8-12)14(17)18-2/h3-5,8-10H,6-7H2,1-2H3,(H,15,16)
InChIKeyLMDBJRYGUOSKMJ-UHFFFAOYSA-N
XLogP2.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-bromopropanoylamino)benzoate
CID 52984160
methyl 3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoylamino]benzoate
CID 121333286
2-cyclopropyl-N-(3-iodophenyl)propanamide
CID 79507143
methyl 3-[(2,2-difluoroacetyl)amino]benzoate
CID 103600805
methyl 3-(2-phenylpropanoylamino)benzoate
CID 104916705
2-cyclopropyl-N-(3-formylphenyl)propanamide
CID 106912491
methyl 3-(2-methylsulfonylpropanoylamino)benzoate
CID 113223100
methyl 3-(2-ethylbutanoylamino)benzoate
CID 43404089
methyl 2-[3-(2-cyclopropylpropanoylamino)phenoxy]acetate
CID 79506458
methyl 3-[(2-methyl-3-methylsulfanylpropanoyl)amino]benzoate
CID 113233668
(2R)-N-(3,4-dichlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;methyl 3-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]benzoate
CID 130200424
methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
CID 108986708

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-cyclopropylpropanoylamino)benzoate?
The IUPAC name of methyl 3-(2-cyclopropylpropanoylamino)benzoate (CID 79506267) is methyl 3-(2-cyclopropylpropanoylamino)benzoate.
What is the SMILES notation for methyl 3-(2-cyclopropylpropanoylamino)benzoate?
The canonical SMILES for methyl 3-(2-cyclopropylpropanoylamino)benzoate is COC(=O)c1cccc(NC(=O)C(C)C2CC2)c1.
What is the InChIKey of methyl 3-(2-cyclopropylpropanoylamino)benzoate?
The InChIKey is LMDBJRYGUOSKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9(10-6-7-10)13(16)15-12-5-3-4-11(8-12)14(17)18-2/h3-5,8-10H,6-7H2,1-2H3,(H,15,16).
What are the key properties of methyl 3-(2-cyclopropylpropanoylamino)benzoate?
methyl 3-(2-cyclopropylpropanoylamino)benzoate has a molecular weight of 247.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-cyclopropylpropanoylamino)benzoate is sourced from PubChem (CID 79506267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).