methyl 2-[(2-methoxyphenyl)carbamoylamino]-3-methylbutanoate

C14H20N2O4 — CID 3896142

IUPACmethyl 2-[(2-methoxyphenyl)carbamoylamino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)Nc1ccccc1OC)C(C)C
InChIInChI=1S/C14H20N2O4/c1-9(2)12(13(17)20-4)16-14(18)15-10-7-5-6-8-11(10)19-3/h5-9,12H,1-4H3,(H2,15,16,18)
InChIKeyGTZTWLLXJNVJRZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.01
Rot. Bonds5

About methyl 2-[(2-methoxyphenyl)carbamoylamino]-3-methylbutanoate

methyl 2-[(2-methoxyphenyl)carbamoylamino]-3-methylbutanoate (PubChem CID 3896142) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 2-[(2-methoxyphenyl)carbamoylamino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxyphenyl)carbamoylamino]-3-methylbutanoate
PubChem CID3896142
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 2-[(2-methoxyphenyl)carbamoylamino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)Nc1ccccc1OC)C(C)C
InChIInChI=1S/C14H20N2O4/c1-9(2)12(13(17)20-4)16-14(18)15-10-7-5-6-8-11(10)19-3/h5-9,12H,1-4H3,(H2,15,16,18)
InChIKeyGTZTWLLXJNVJRZ-UHFFFAOYSA-N
XLogP2.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxyphenyl)carbamoylamino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(2-methoxyphenyl)carbamoylamino]-3-methylbutanoate (CID 3896142) is methyl 2-[(2-methoxyphenyl)carbamoylamino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(2-methoxyphenyl)carbamoylamino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(2-methoxyphenyl)carbamoylamino]-3-methylbutanoate is COC(=O)C(NC(=O)Nc1ccccc1OC)C(C)C.
What is the InChIKey of methyl 2-[(2-methoxyphenyl)carbamoylamino]-3-methylbutanoate?
The InChIKey is GTZTWLLXJNVJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(2)12(13(17)20-4)16-14(18)15-10-7-5-6-8-11(10)19-3/h5-9,12H,1-4H3,(H2,15,16,18).
What are the key properties of methyl 2-[(2-methoxyphenyl)carbamoylamino]-3-methylbutanoate?
methyl 2-[(2-methoxyphenyl)carbamoylamino]-3-methylbutanoate has a molecular weight of 280.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxyphenyl)carbamoylamino]-3-methylbutanoate is sourced from PubChem (CID 3896142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).