[2-oxo-2-(propylamino)ethyl] 5-amino-2-methoxybenzoate

C13H18N2O4 — CID 61321954

IUPAC[2-oxo-2-(propylamino)ethyl] 5-amino-2-methoxybenzoate
SMILESCCCNC(=O)COC(=O)c1cc(N)ccc1OC
InChIInChI=1S/C13H18N2O4/c1-3-6-15-12(16)8-19-13(17)10-7-9(14)4-5-11(10)18-2/h4-5,7H,3,6,8,14H2,1-2H3,(H,15,16)
InChIKeyNKLZUWDIGIWNNJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.96
Rot. Bonds6

About [2-oxo-2-(propylamino)ethyl] 5-amino-2-methoxybenzoate

[2-oxo-2-(propylamino)ethyl] 5-amino-2-methoxybenzoate (PubChem CID 61321954) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is [2-oxo-2-(propylamino)ethyl] 5-amino-2-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(propylamino)ethyl] 5-amino-2-methoxybenzoate
PubChem CID61321954
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name[2-oxo-2-(propylamino)ethyl] 5-amino-2-methoxybenzoate
SMILESCCCNC(=O)COC(=O)c1cc(N)ccc1OC
InChIInChI=1S/C13H18N2O4/c1-3-6-15-12(16)8-19-13(17)10-7-9(14)4-5-11(10)18-2/h4-5,7H,3,6,8,14H2,1-2H3,(H,15,16)
InChIKeyNKLZUWDIGIWNNJ-UHFFFAOYSA-N
XLogP0.96
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.96
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

[2-(2-cyanoethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321955
[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321763
[2-oxo-2-(pentan-2-ylamino)ethyl] 5-amino-2-methoxybenzoate
CID 61489769
(2-methoxy-2-oxoethyl) 5-amino-2-methoxybenzoate
CID 61323469
ethyl 5-amino-2-methoxybenzoate
CID 22180184
[2-(cyclopropylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321191
[2-(cyclopentylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321950
[2-oxo-2-(propylamino)ethyl] 3,4,5-trimethoxybenzoate
CID 2572054
nonyl 5-amino-2-methoxybenzoate
CID 63450276
2-(4-amino-2-bromophenoxy)-N-propylacetamide
CID 155894555
[3-(methylamino)-3-oxopropyl] 5-amino-2-methoxybenzoate
CID 55060431
[2-oxo-2-(propylamino)ethyl] 2-bromo-5-methoxybenzoate
CID 2524308

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylamino)ethyl] 5-amino-2-methoxybenzoate?
The IUPAC name of [2-oxo-2-(propylamino)ethyl] 5-amino-2-methoxybenzoate (CID 61321954) is [2-oxo-2-(propylamino)ethyl] 5-amino-2-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-(propylamino)ethyl] 5-amino-2-methoxybenzoate?
The canonical SMILES for [2-oxo-2-(propylamino)ethyl] 5-amino-2-methoxybenzoate is CCCNC(=O)COC(=O)c1cc(N)ccc1OC.
What is the InChIKey of [2-oxo-2-(propylamino)ethyl] 5-amino-2-methoxybenzoate?
The InChIKey is NKLZUWDIGIWNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-6-15-12(16)8-19-13(17)10-7-9(14)4-5-11(10)18-2/h4-5,7H,3,6,8,14H2,1-2H3,(H,15,16).
What are the key properties of [2-oxo-2-(propylamino)ethyl] 5-amino-2-methoxybenzoate?
[2-oxo-2-(propylamino)ethyl] 5-amino-2-methoxybenzoate has a molecular weight of 266.30 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylamino)ethyl] 5-amino-2-methoxybenzoate is sourced from PubChem (CID 61321954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).