(2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-6-methoxybenzoate

C14H18N2O4 — CID 81414208

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-6-methoxybenzoate
SMILESCOc1cccc(N)c1C(=O)OCC(=O)N1CCCC1
InChIInChI=1S/C14H18N2O4/c1-19-11-6-4-5-10(15)13(11)14(18)20-9-12(17)16-7-2-3-8-16/h4-6H,2-3,7-9,15H2,1H3
InChIKeyBUHUAPCMZWBSCY-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.06
Rot. Bonds4

About (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-6-methoxybenzoate

(2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-6-methoxybenzoate (PubChem CID 81414208) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-6-methoxybenzoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-6-methoxybenzoate
PubChem CID81414208
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-6-methoxybenzoate
SMILESCOc1cccc(N)c1C(=O)OCC(=O)N1CCCC1
InChIInChI=1S/C14H18N2O4/c1-19-11-6-4-5-10(15)13(11)14(18)20-9-12(17)16-7-2-3-8-16/h4-6H,2-3,7-9,15H2,1H3
InChIKeyBUHUAPCMZWBSCY-UHFFFAOYSA-N
XLogP1.06
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.06
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

(2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate
CID 81414867
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 9228589
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515943
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515940
[2-(azepan-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 4132408
2-hydroxyethyl 2-amino-6-methoxybenzoate
CID 81413891
(2-oxo-2-pyrrolidin-1-ylethyl) 4-amino-5-chloro-2-methoxybenzoate
CID 2371999
(2-oxo-2-pyrrolidin-1-ylethyl) 3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 3472296
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 55397391
[2-(azepan-1-yl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 4828916
(2-oxo-2-piperidin-1-ylethyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2371643
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate
CID 81414457

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-6-methoxybenzoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-6-methoxybenzoate (CID 81414208) is (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-6-methoxybenzoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-6-methoxybenzoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-6-methoxybenzoate is COc1cccc(N)c1C(=O)OCC(=O)N1CCCC1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-6-methoxybenzoate?
The InChIKey is BUHUAPCMZWBSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-11-6-4-5-10(15)13(11)14(18)20-9-12(17)16-7-2-3-8-16/h4-6H,2-3,7-9,15H2,1H3.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-6-methoxybenzoate?
(2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-6-methoxybenzoate has a molecular weight of 278.31 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-6-methoxybenzoate is sourced from PubChem (CID 81414208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).