methyl 2-[(2-amino-5-methoxybenzoyl)amino]-3-methylbutanoate

C14H20N2O4 — CID 60954752

IUPACmethyl 2-[(2-amino-5-methoxybenzoyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1cc(OC)ccc1N)C(C)C
InChIInChI=1S/C14H20N2O4/c1-8(2)12(14(18)20-4)16-13(17)10-7-9(19-3)5-6-11(10)15/h5-8,12H,15H2,1-4H3,(H,16,17)
InChIKeyZJYCHZCVHXCTTA-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.20
Rot. Bonds5

About methyl 2-[(2-amino-5-methoxybenzoyl)amino]-3-methylbutanoate

methyl 2-[(2-amino-5-methoxybenzoyl)amino]-3-methylbutanoate (PubChem CID 60954752) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 2-[(2-amino-5-methoxybenzoyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-5-methoxybenzoyl)amino]-3-methylbutanoate
PubChem CID60954752
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 2-[(2-amino-5-methoxybenzoyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1cc(OC)ccc1N)C(C)C
InChIInChI=1S/C14H20N2O4/c1-8(2)12(14(18)20-4)16-13(17)10-7-9(19-3)5-6-11(10)15/h5-8,12H,15H2,1-4H3,(H,16,17)
InChIKeyZJYCHZCVHXCTTA-UHFFFAOYSA-N
XLogP1.20
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-methylbutanoate
CID 43404116
methyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate
CID 54959759
2-[(2-amino-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 80504248
2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61118306
(2S)-2-[(2-amino-5-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 115412933
(2S)-2-[(2,5-dimethoxybenzoyl)amino]-3-methylbutanoic acid
CID 61137607
2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-5-methoxybenzamide
CID 115412619
2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide
CID 115413669
2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
methyl 2-amino-5-methoxybenzoate
CID 13052275
2-amino-5-methoxy-N',N'-dimethylbenzohydrazide
CID 83012633
methyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-methylbutanoate
CID 43452003

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-5-methoxybenzoyl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(2-amino-5-methoxybenzoyl)amino]-3-methylbutanoate (CID 60954752) is methyl 2-[(2-amino-5-methoxybenzoyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(2-amino-5-methoxybenzoyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(2-amino-5-methoxybenzoyl)amino]-3-methylbutanoate is COC(=O)C(NC(=O)c1cc(OC)ccc1N)C(C)C.
What is the InChIKey of methyl 2-[(2-amino-5-methoxybenzoyl)amino]-3-methylbutanoate?
The InChIKey is ZJYCHZCVHXCTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-8(2)12(14(18)20-4)16-13(17)10-7-9(19-3)5-6-11(10)15/h5-8,12H,15H2,1-4H3,(H,16,17).
What are the key properties of methyl 2-[(2-amino-5-methoxybenzoyl)amino]-3-methylbutanoate?
methyl 2-[(2-amino-5-methoxybenzoyl)amino]-3-methylbutanoate has a molecular weight of 280.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-5-methoxybenzoyl)amino]-3-methylbutanoate is sourced from PubChem (CID 60954752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).