methyl 2-[(4-amino-3-methoxybenzoyl)-propan-2-ylamino]acetate

C14H20N2O4 — CID 104782581

IUPACmethyl 2-[(4-amino-3-methoxybenzoyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1ccc(N)c(OC)c1)C(C)C
InChIInChI=1S/C14H20N2O4/c1-9(2)16(8-13(17)20-4)14(18)10-5-6-11(15)12(7-10)19-3/h5-7,9H,8,15H2,1-4H3
InChIKeyYXIUBEUBRQTSCN-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.30
Rot. Bonds5

About methyl 2-[(4-amino-3-methoxybenzoyl)-propan-2-ylamino]acetate

methyl 2-[(4-amino-3-methoxybenzoyl)-propan-2-ylamino]acetate (PubChem CID 104782581) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 2-[(4-amino-3-methoxybenzoyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-3-methoxybenzoyl)-propan-2-ylamino]acetate
PubChem CID104782581
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 2-[(4-amino-3-methoxybenzoyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1ccc(N)c(OC)c1)C(C)C
InChIInChI=1S/C14H20N2O4/c1-9(2)16(8-13(17)20-4)14(18)10-5-6-11(15)12(7-10)19-3/h5-7,9H,8,15H2,1-4H3
InChIKeyYXIUBEUBRQTSCN-UHFFFAOYSA-N
XLogP1.30
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(4-amino-3-methoxybenzoyl)-propylamino]acetate
CID 104782582
3-amino-N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylbenzamide
CID 43572598
methyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate
CID 54941995
methyl 2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetate
CID 63195216
methyl 2-[(3-fluoro-4-methylbenzoyl)-propan-2-ylamino]acetate
CID 54942287
methyl 2-[(4-chlorobenzoyl)-propan-2-ylamino]acetate
CID 54941937
methyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate
CID 104782621
methyl 2-[(4-chloro-3-fluorobenzoyl)-propan-2-ylamino]acetate
CID 103876685
methyl 2-[(4-bromo-3-fluorobenzoyl)-propan-2-ylamino]acetate
CID 55133439
ethyl 2-[(3-fluoro-4-methoxybenzoyl)-propan-2-ylamino]acetate
CID 61022662
ethyl 2-[(3-bromo-4-methoxybenzoyl)-propan-2-ylamino]acetate
CID 61021807
methyl 2-[(3-cyanobenzoyl)-propan-2-ylamino]acetate
CID 54941803

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-3-methoxybenzoyl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(4-amino-3-methoxybenzoyl)-propan-2-ylamino]acetate (CID 104782581) is methyl 2-[(4-amino-3-methoxybenzoyl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(4-amino-3-methoxybenzoyl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(4-amino-3-methoxybenzoyl)-propan-2-ylamino]acetate is COC(=O)CN(C(=O)c1ccc(N)c(OC)c1)C(C)C.
What is the InChIKey of methyl 2-[(4-amino-3-methoxybenzoyl)-propan-2-ylamino]acetate?
The InChIKey is YXIUBEUBRQTSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(2)16(8-13(17)20-4)14(18)10-5-6-11(15)12(7-10)19-3/h5-7,9H,8,15H2,1-4H3.
What are the key properties of methyl 2-[(4-amino-3-methoxybenzoyl)-propan-2-ylamino]acetate?
methyl 2-[(4-amino-3-methoxybenzoyl)-propan-2-ylamino]acetate has a molecular weight of 280.32 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-3-methoxybenzoyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 104782581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).