methyl 3-(2-cyclopropylethoxycarbonylamino)benzoate

C14H17NO4 — CID 175903271

IUPACmethyl 3-(2-cyclopropylethoxycarbonylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)OCCC2CC2)c1
InChIInChI=1S/C14H17NO4/c1-18-13(16)11-3-2-4-12(9-11)15-14(17)19-8-7-10-5-6-10/h2-4,9-10H,5-8H2,1H3,(H,15,17)
InChIKeyWIJYGQVXQKXKQE-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.82
Rot. Bonds5

About methyl 3-(2-cyclopropylethoxycarbonylamino)benzoate

methyl 3-(2-cyclopropylethoxycarbonylamino)benzoate (PubChem CID 175903271) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 3-(2-cyclopropylethoxycarbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-cyclopropylethoxycarbonylamino)benzoate
PubChem CID175903271
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 3-(2-cyclopropylethoxycarbonylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)OCCC2CC2)c1
InChIInChI=1S/C14H17NO4/c1-18-13(16)11-3-2-4-12(9-11)15-14(17)19-8-7-10-5-6-10/h2-4,9-10H,5-8H2,1H3,(H,15,17)
InChIKeyWIJYGQVXQKXKQE-UHFFFAOYSA-N
XLogP2.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2-cyclobutylacetyl)amino]benzoate
CID 103706367
methyl 3-(carbamoylamino)benzoate
CID 2822841
propyl 3-(butoxycarbonylamino)benzoate
CID 19172785
methyl 3-[4-(ethoxycarbonylamino)anilino]benzoate
CID 112988523
(4-methoxycarbonylphenyl) 3-(ethoxycarbonylamino)benzoate
CID 26689674
methyl 3-[(3-amino-3-methylbutanoyl)amino]benzoate
CID 64679224
3-(butoxycarbonylamino)benzoic acid
CID 70253445
methyl 3-[(2-hydroxyacetyl)amino]benzoate
CID 82113146
methyl 3-(2-cyclopropylpropanoylamino)benzoate
CID 79506267
methyl 3-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate
CID 112999894
methyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate
CID 64823451
ethyl 3-(3-cyclopentylpropanoylamino)benzoate
CID 837279

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-cyclopropylethoxycarbonylamino)benzoate?
The IUPAC name of methyl 3-(2-cyclopropylethoxycarbonylamino)benzoate (CID 175903271) is methyl 3-(2-cyclopropylethoxycarbonylamino)benzoate.
What is the SMILES notation for methyl 3-(2-cyclopropylethoxycarbonylamino)benzoate?
The canonical SMILES for methyl 3-(2-cyclopropylethoxycarbonylamino)benzoate is COC(=O)c1cccc(NC(=O)OCCC2CC2)c1.
What is the InChIKey of methyl 3-(2-cyclopropylethoxycarbonylamino)benzoate?
The InChIKey is WIJYGQVXQKXKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-18-13(16)11-3-2-4-12(9-11)15-14(17)19-8-7-10-5-6-10/h2-4,9-10H,5-8H2,1H3,(H,15,17).
What are the key properties of methyl 3-(2-cyclopropylethoxycarbonylamino)benzoate?
methyl 3-(2-cyclopropylethoxycarbonylamino)benzoate has a molecular weight of 263.29 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-cyclopropylethoxycarbonylamino)benzoate is sourced from PubChem (CID 175903271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).