methyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate

C12H16N2O4 — CID 54959759

IUPACmethyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1cc(OC)ccc1N
InChIInChI=1S/C12H16N2O4/c1-7(12(16)18-3)14-11(15)9-6-8(17-2)4-5-10(9)13/h4-7H,13H2,1-3H3,(H,14,15)
InChIKeyBDDBGORTAGBIKS-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.57
Rot. Bonds4

About methyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate

methyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate (PubChem CID 54959759) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate
PubChem CID54959759
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Namemethyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1cc(OC)ccc1N
InChIInChI=1S/C12H16N2O4/c1-7(12(16)18-3)14-11(15)9-6-8(17-2)4-5-10(9)13/h4-7H,13H2,1-3H3,(H,14,15)
InChIKeyBDDBGORTAGBIKS-UHFFFAOYSA-N
XLogP0.57
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.57
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-amino-5-methoxybenzoyl)amino]-3-methylbutanoate
CID 60954752
2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-5-methoxybenzamide
CID 115412619
2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61118306
methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]propanoate
CID 61209553
2-amino-5-methoxy-N',N'-dimethylbenzohydrazide
CID 83012633
(2S)-2-[(2-amino-5-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 115412933
(2R)-2-[(2-amino-4-methoxybenzoyl)amino]propanoic acid
CID 96696434
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-methoxybenzamide;ethane
CID 142071126
2-amino-N-(2-amino-2-oxoethoxy)-5-methoxybenzamide
CID 112674220

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate?
The IUPAC name of methyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate (CID 54959759) is methyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate?
The canonical SMILES for methyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate is COC(=O)C(C)NC(=O)c1cc(OC)ccc1N.
What is the InChIKey of methyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate?
The InChIKey is BDDBGORTAGBIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7(12(16)18-3)14-11(15)9-6-8(17-2)4-5-10(9)13/h4-7H,13H2,1-3H3,(H,14,15).
What are the key properties of methyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate?
methyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate has a molecular weight of 252.27 g/mol, XLogP of 0.57, 4 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]propanoate is sourced from PubChem (CID 54959759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).