[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate

C14H18N2O4 — CID 61321763

IUPAC[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
SMILESCOc1ccc(N)cc1C(=O)OCC(=O)NCC1CC1
InChIInChI=1S/C14H18N2O4/c1-19-12-5-4-10(15)6-11(12)14(18)20-8-13(17)16-7-9-2-3-9/h4-6,9H,2-3,7-8,15H2,1H3,(H,16,17)
InChIKeyHMXNHLDLKLFYDQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.96
Rot. Bonds6

About [2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate

[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate (PubChem CID 61321763) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is [2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate.

Molecular Properties

Compound Name[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
PubChem CID61321763
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
SMILESCOc1ccc(N)cc1C(=O)OCC(=O)NCC1CC1
InChIInChI=1S/C14H18N2O4/c1-19-12-5-4-10(15)6-11(12)14(18)20-8-13(17)16-7-9-2-3-9/h4-6,9H,2-3,7-8,15H2,1H3,(H,16,17)
InChIKeyHMXNHLDLKLFYDQ-UHFFFAOYSA-N
XLogP0.96
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
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-(cyclopropylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321191
[2-oxo-2-(propylamino)ethyl] 5-amino-2-methoxybenzoate
CID 61321954
[2-(cyclopentylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321950
(2-methoxy-2-oxoethyl) 5-amino-2-methoxybenzoate
CID 61323469
[2-(2-cyanoethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321955
[2-(cyclopropylmethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate
CID 60768796
5-amino-2-methoxy-N-(oxan-4-ylmethyl)benzamide
CID 55226609
[2-oxo-2-(pentan-2-ylamino)ethyl] 5-amino-2-methoxybenzoate
CID 61489769
ethyl 5-amino-2-methoxybenzoate
CID 22180184
[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2,4-dimethylbenzoate
CID 102706148
[3-(methylamino)-3-oxopropyl] 5-amino-2-methoxybenzoate
CID 55060431
2-[(2-methylpropan-2-yl)oxy]ethyl 5-amino-2-methoxybenzoate
CID 112588565

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate?
The IUPAC name of [2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate (CID 61321763) is [2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate.
What is the SMILES notation for [2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate?
The canonical SMILES for [2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate is COc1ccc(N)cc1C(=O)OCC(=O)NCC1CC1.
What is the InChIKey of [2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate?
The InChIKey is HMXNHLDLKLFYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-12-5-4-10(15)6-11(12)14(18)20-8-13(17)16-7-9-2-3-9/h4-6,9H,2-3,7-8,15H2,1H3,(H,16,17).
What are the key properties of [2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate?
[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate has a molecular weight of 278.31 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-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate is sourced from PubChem (CID 61321763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).