methyl 2-(cyclopentanecarbonylamino)benzoate

C14H17NO3 — CID 895998

IUPACmethyl 2-(cyclopentanecarbonylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CCCC1
InChIInChI=1S/C14H17NO3/c1-18-14(17)11-8-4-5-9-12(11)15-13(16)10-6-2-3-7-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyJGXRIRPMSWHGKN-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.60
Rot. Bonds3

About methyl 2-(cyclopentanecarbonylamino)benzoate

methyl 2-(cyclopentanecarbonylamino)benzoate (PubChem CID 895998) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl 2-(cyclopentanecarbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(cyclopentanecarbonylamino)benzoate
PubChem CID895998
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namemethyl 2-(cyclopentanecarbonylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CCCC1
InChIInChI=1S/C14H17NO3/c1-18-14(17)11-8-4-5-9-12(11)15-13(16)10-6-2-3-7-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyJGXRIRPMSWHGKN-UHFFFAOYSA-N
XLogP2.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl Anthranilate
CID 8635
Methyl N-methylanthranilate
CID 6826
Isatoic Anhydride
CID 8359
Linalyl anthranilate
CID 23535
Ethyl 2-aminobenzoate
CID 6877
Butyl anthranilate
CID 24433
N-acetylanthranilic acid
CID 6971
Allyl anthranilate
CID 24116
Isobutyl anthranilate
CID 24515
2-(Benzoylamino)benzoic acid
CID 68482
N-Benzoylanthranilate
CID 5091716
Methyl n-acetylanthranilate
CID 17623

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopentanecarbonylamino)benzoate?
The IUPAC name of methyl 2-(cyclopentanecarbonylamino)benzoate (CID 895998) is methyl 2-(cyclopentanecarbonylamino)benzoate.
What is the SMILES notation for methyl 2-(cyclopentanecarbonylamino)benzoate?
The canonical SMILES for methyl 2-(cyclopentanecarbonylamino)benzoate is COC(=O)c1ccccc1NC(=O)C1CCCC1.
What is the InChIKey of methyl 2-(cyclopentanecarbonylamino)benzoate?
The InChIKey is JGXRIRPMSWHGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-18-14(17)11-8-4-5-9-12(11)15-13(16)10-6-2-3-7-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,15,16).
What are the key properties of methyl 2-(cyclopentanecarbonylamino)benzoate?
methyl 2-(cyclopentanecarbonylamino)benzoate has a molecular weight of 247.29 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopentanecarbonylamino)benzoate is sourced from PubChem (CID 895998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).