1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid

C14H18N2O4 — CID 43441726

IUPAC1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccccc1NC(=O)CN1CCCC1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-20-12-7-3-2-5-10(12)15-13(17)9-16-8-4-6-11(16)14(18)19/h2-3,5,7,11H,4,6,8-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyKCHNJKTVDAJFAS-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.18
Rot. Bonds5

About 1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid

1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid (PubChem CID 43441726) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
PubChem CID43441726
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccccc1NC(=O)CN1CCCC1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-20-12-7-3-2-5-10(12)15-13(17)9-16-8-4-6-11(16)14(18)19/h2-3,5,7,11H,4,6,8-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyKCHNJKTVDAJFAS-UHFFFAOYSA-N
XLogP1.18
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910424
(2S)-1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910879
4-[2-(2-methoxyanilino)-2-oxoethyl]thiomorpholine-3-carboxylic acid
CID 82897546
N-(2-methoxyphenyl)-2-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 156608240
(2S)-1-[2-(2-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910659
1-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909597
N-(2-methoxyphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928580
(2R)-1-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119914296
1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441823
N-(2-methoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 17436135
(2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxylic acid
CID 119910886
1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441727

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid (CID 43441726) is 1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid is COc1ccccc1NC(=O)CN1CCCC1C(=O)O.
What is the InChIKey of 1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is KCHNJKTVDAJFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-12-7-3-2-5-10(12)15-13(17)9-16-8-4-6-11(16)14(18)19/h2-3,5,7,11H,4,6,8-9H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43441726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).