[2-oxo-2-(pentan-2-ylamino)ethyl] 5-amino-2-methoxybenzoate

C15H22N2O4 — CID 61489769

IUPAC[2-oxo-2-(pentan-2-ylamino)ethyl] 5-amino-2-methoxybenzoate
SMILESCCCC(C)NC(=O)COC(=O)c1cc(N)ccc1OC
InChIInChI=1S/C15H22N2O4/c1-4-5-10(2)17-14(18)9-21-15(19)12-8-11(16)6-7-13(12)20-3/h6-8,10H,4-5,9,16H2,1-3H3,(H,17,18)
InChIKeyIUHHGQGOXLQZEO-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.74
Rot. Bonds7

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

[2-oxo-2-(pentan-2-ylamino)ethyl] 5-amino-2-methoxybenzoate (PubChem CID 61489769) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is [2-oxo-2-(pentan-2-ylamino)ethyl] 5-amino-2-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(pentan-2-ylamino)ethyl] 5-amino-2-methoxybenzoate
PubChem CID61489769
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name[2-oxo-2-(pentan-2-ylamino)ethyl] 5-amino-2-methoxybenzoate
SMILESCCCC(C)NC(=O)COC(=O)c1cc(N)ccc1OC
InChIInChI=1S/C15H22N2O4/c1-4-5-10(2)17-14(18)9-21-15(19)12-8-11(16)6-7-13(12)20-3/h6-8,10H,4-5,9,16H2,1-3H3,(H,17,18)
InChIKeyIUHHGQGOXLQZEO-UHFFFAOYSA-N
XLogP1.74
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.74
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-oxo-2-(propylamino)ethyl] 5-amino-2-methoxybenzoate
CID 61321954
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-bromo-4-methoxybenzoate
CID 7647895
(2-methoxy-2-oxoethyl) 5-amino-2-methoxybenzoate
CID 61323469
[2-oxo-2-(pentan-2-ylamino)ethyl] 3,4,5-trimethoxybenzoate
CID 18074008
ethyl 5-amino-2-methoxybenzoate
CID 22180184
[2-(cyclopropylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321191
[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321763
5-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methoxybenzamide
CID 61138881
5-amino-N-hexan-3-yl-2-methoxybenzamide
CID 62094748
[2-oxo-2-(propan-2-ylamino)ethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7467931
[2-(cyclopentylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321950
[3-(methylamino)-3-oxopropyl] 5-amino-2-methoxybenzoate
CID 55060431

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentan-2-ylamino)ethyl] 5-amino-2-methoxybenzoate?
The IUPAC name of [2-oxo-2-(pentan-2-ylamino)ethyl] 5-amino-2-methoxybenzoate (CID 61489769) is [2-oxo-2-(pentan-2-ylamino)ethyl] 5-amino-2-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-(pentan-2-ylamino)ethyl] 5-amino-2-methoxybenzoate?
The canonical SMILES for [2-oxo-2-(pentan-2-ylamino)ethyl] 5-amino-2-methoxybenzoate is CCCC(C)NC(=O)COC(=O)c1cc(N)ccc1OC.
What is the InChIKey of [2-oxo-2-(pentan-2-ylamino)ethyl] 5-amino-2-methoxybenzoate?
The InChIKey is IUHHGQGOXLQZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-5-10(2)17-14(18)9-21-15(19)12-8-11(16)6-7-13(12)20-3/h6-8,10H,4-5,9,16H2,1-3H3,(H,17,18).
What are the key properties of [2-oxo-2-(pentan-2-ylamino)ethyl] 5-amino-2-methoxybenzoate?
[2-oxo-2-(pentan-2-ylamino)ethyl] 5-amino-2-methoxybenzoate has a molecular weight of 294.35 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentan-2-ylamino)ethyl] 5-amino-2-methoxybenzoate is sourced from PubChem (CID 61489769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).