methyl 5-[(cyclobutanecarbonylamino)methyl]-2-methoxybenzoate

C15H19NO4 — CID 27817531

IUPACmethyl 5-[(cyclobutanecarbonylamino)methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNC(=O)C2CCC2)ccc1OC
InChIInChI=1S/C15H19NO4/c1-19-13-7-6-10(8-12(13)15(18)20-2)9-16-14(17)11-4-3-5-11/h6-8,11H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyQZROBNFQGRJOOJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.90
Rot. Bonds5

About methyl 5-[(cyclobutanecarbonylamino)methyl]-2-methoxybenzoate

methyl 5-[(cyclobutanecarbonylamino)methyl]-2-methoxybenzoate (PubChem CID 27817531) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 5-[(cyclobutanecarbonylamino)methyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[(cyclobutanecarbonylamino)methyl]-2-methoxybenzoate
PubChem CID27817531
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 5-[(cyclobutanecarbonylamino)methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNC(=O)C2CCC2)ccc1OC
InChIInChI=1S/C15H19NO4/c1-19-13-7-6-10(8-12(13)15(18)20-2)9-16-14(17)11-4-3-5-11/h6-8,11H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyQZROBNFQGRJOOJ-UHFFFAOYSA-N
XLogP1.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]-2-methoxybenzoate;hydrochloride
CID 120985040
N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 110781731
N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 99133680
5-[[[(1S,5S)-bicyclo[3.1.0]hexane-6-carbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124687981
N-[(3-amino-4-methoxyphenyl)methyl]cyclopropanecarboxamide
CID 60972239
N-[(3,4-dimethoxyphenyl)methyl]azepane-4-carboxamide;hydrochloride
CID 154911557
methyl 5-[[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-2-methoxybenzoate
CID 111868218
methyl 5-[[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]methyl]-2-methoxybenzoate
CID 110957906
methyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate
CID 119726463
4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144703
methyl 5-[(2,3-dihydro-1-benzofuran-2-carbonylamino)methyl]-2-methoxybenzoate
CID 18089755
methyl 5-[(but-2-ynoylamino)methyl]-2-methoxybenzoate
CID 146076174

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(cyclobutanecarbonylamino)methyl]-2-methoxybenzoate?
The IUPAC name of methyl 5-[(cyclobutanecarbonylamino)methyl]-2-methoxybenzoate (CID 27817531) is methyl 5-[(cyclobutanecarbonylamino)methyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[(cyclobutanecarbonylamino)methyl]-2-methoxybenzoate?
The canonical SMILES for methyl 5-[(cyclobutanecarbonylamino)methyl]-2-methoxybenzoate is COC(=O)c1cc(CNC(=O)C2CCC2)ccc1OC.
What is the InChIKey of methyl 5-[(cyclobutanecarbonylamino)methyl]-2-methoxybenzoate?
The InChIKey is QZROBNFQGRJOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-19-13-7-6-10(8-12(13)15(18)20-2)9-16-14(17)11-4-3-5-11/h6-8,11H,3-5,9H2,1-2H3,(H,16,17).
What are the key properties of methyl 5-[(cyclobutanecarbonylamino)methyl]-2-methoxybenzoate?
methyl 5-[(cyclobutanecarbonylamino)methyl]-2-methoxybenzoate has a molecular weight of 277.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(cyclobutanecarbonylamino)methyl]-2-methoxybenzoate is sourced from PubChem (CID 27817531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).