methyl 2-[4-(methoxycarbonylamino)anilino]butanoate

C13H18N2O4 — CID 115352842

IUPACmethyl 2-[4-(methoxycarbonylamino)anilino]butanoate
SMILESCCC(Nc1ccc(NC(=O)OC)cc1)C(=O)OC
InChIInChI=1S/C13H18N2O4/c1-4-11(12(16)18-2)14-9-5-7-10(8-6-9)15-13(17)19-3/h5-8,11,14H,4H2,1-3H3,(H,15,17)
InChIKeyUZNUEGFMQZCTGV-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.23
Rot. Bonds5

About methyl 2-[4-(methoxycarbonylamino)anilino]butanoate

methyl 2-[4-(methoxycarbonylamino)anilino]butanoate (PubChem CID 115352842) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-[4-(methoxycarbonylamino)anilino]butanoate.

Molecular Properties

Compound Namemethyl 2-[4-(methoxycarbonylamino)anilino]butanoate
PubChem CID115352842
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 2-[4-(methoxycarbonylamino)anilino]butanoate
SMILESCCC(Nc1ccc(NC(=O)OC)cc1)C(=O)OC
InChIInChI=1S/C13H18N2O4/c1-4-11(12(16)18-2)14-9-5-7-10(8-6-9)15-13(17)19-3/h5-8,11,14H,4H2,1-3H3,(H,15,17)
InChIKeyUZNUEGFMQZCTGV-UHFFFAOYSA-N
XLogP2.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-2-anilinobutanoate
CID 51891380
methyl 2-(4-methylsulfonylanilino)butanoate
CID 113292297
methyl 2-[4-(ethylcarbamoyl)anilino]butanoate
CID 115352826
methyl 2-[4-(sulfamoylmethyl)anilino]butanoate
CID 115352982
methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate
CID 107243083
ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate
CID 43703992
methyl N-[4-(1-ethylsulfonylpropan-2-ylamino)phenyl]carbamate
CID 115918902
methyl 2-[[6-(dimethylamino)-3-pyridinyl]amino]butanoate
CID 113292407
methyl 2-[4-(pyrrolidin-1-ylmethyl)anilino]butanoate
CID 115352542
methyl 2-(3-acetamido-4-fluoroanilino)butanoate
CID 110209270
ethyl 2-(4-aminoanilino)butanoate
CID 154214416
methyl 2-(4-cyclopentylsulfanylanilino)butanoate
CID 115352806

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(methoxycarbonylamino)anilino]butanoate?
The IUPAC name of methyl 2-[4-(methoxycarbonylamino)anilino]butanoate (CID 115352842) is methyl 2-[4-(methoxycarbonylamino)anilino]butanoate.
What is the SMILES notation for methyl 2-[4-(methoxycarbonylamino)anilino]butanoate?
The canonical SMILES for methyl 2-[4-(methoxycarbonylamino)anilino]butanoate is CCC(Nc1ccc(NC(=O)OC)cc1)C(=O)OC.
What is the InChIKey of methyl 2-[4-(methoxycarbonylamino)anilino]butanoate?
The InChIKey is UZNUEGFMQZCTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-11(12(16)18-2)14-9-5-7-10(8-6-9)15-13(17)19-3/h5-8,11,14H,4H2,1-3H3,(H,15,17).
What are the key properties of methyl 2-[4-(methoxycarbonylamino)anilino]butanoate?
methyl 2-[4-(methoxycarbonylamino)anilino]butanoate has a molecular weight of 266.30 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(methoxycarbonylamino)anilino]butanoate is sourced from PubChem (CID 115352842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).