4-[[(Z)-2-amino-2-(3-methoxyphenyl)ethenyl]amino]pyrrolidine-2-carboxylic acid

C14H19N3O3 — CID 155323037

IUPAC4-[[(Z)-2-amino-2-(3-methoxyphenyl)ethenyl]amino]pyrrolidine-2-carboxylic acid
SMILESCOc1cccc(/C(N)=C/NC2CNC(C(=O)O)C2)c1
InChIInChI=1S/C14H19N3O3/c1-20-11-4-2-3-9(5-11)12(15)8-16-10-6-13(14(18)19)17-7-10/h2-5,8,10,13,16-17H,6-7,15H2,1H3,(H,18,19)/b12-8-
InChIKeyKRZKTOGWQRIPIJ-WQLSENKSSA-N
MW277.32 g/mol
LogP0.36
Rot. Bonds5

About 4-[[(Z)-2-amino-2-(3-methoxyphenyl)ethenyl]amino]pyrrolidine-2-carboxylic acid

4-[[(Z)-2-amino-2-(3-methoxyphenyl)ethenyl]amino]pyrrolidine-2-carboxylic acid (PubChem CID 155323037) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[[(Z)-2-amino-2-(3-methoxyphenyl)ethenyl]amino]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[(Z)-2-amino-2-(3-methoxyphenyl)ethenyl]amino]pyrrolidine-2-carboxylic acid
PubChem CID155323037
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-[[(Z)-2-amino-2-(3-methoxyphenyl)ethenyl]amino]pyrrolidine-2-carboxylic acid
SMILESCOc1cccc(/C(N)=C/NC2CNC(C(=O)O)C2)c1
InChIInChI=1S/C14H19N3O3/c1-20-11-4-2-3-9(5-11)12(15)8-16-10-6-13(14(18)19)17-7-10/h2-5,8,10,13,16-17H,6-7,15H2,1H3,(H,18,19)/b12-8-
InChIKeyKRZKTOGWQRIPIJ-WQLSENKSSA-N
XLogP0.36
TPSA96.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxyphenyl)-(4-methoxypyrrolidin-2-yl)methanone
CID 116560608
(2S,4S)-4-[4-(3-methoxyphenyl)triazol-1-yl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 154887603
cis-(1R,3S)-3-(3-methoxybenzoyl)cyclohexane-1-carboxylic acid
CID 24722452
(Z)-2-amino-3-anilino-1-(3-methoxyphenyl)prop-2-en-1-one
CID 71097759
(3Z)-4-(3-methoxyphenyl)buta-1,3-diene-1,1,4-triamine
CID 178030390
N-cyclopropyl-3-methoxybenzamide
CID 900156
2-(3-methoxyphenyl)-2-oxoacetamide
CID 116924501
3-[3-(3-methoxyphenyl)phenyl]-3-oxopropanoic acid
CID 170887222
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
(4-hydroxypyrrolidin-2-yl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119727479
(3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone
CID 95442884
(1-aminocyclopropyl)-(3-methoxyphenyl)methanone
CID 116576589

Frequently Asked Questions

What is the IUPAC name of 4-[[(Z)-2-amino-2-(3-methoxyphenyl)ethenyl]amino]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-[[(Z)-2-amino-2-(3-methoxyphenyl)ethenyl]amino]pyrrolidine-2-carboxylic acid (CID 155323037) is 4-[[(Z)-2-amino-2-(3-methoxyphenyl)ethenyl]amino]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-[[(Z)-2-amino-2-(3-methoxyphenyl)ethenyl]amino]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-[[(Z)-2-amino-2-(3-methoxyphenyl)ethenyl]amino]pyrrolidine-2-carboxylic acid is COc1cccc(/C(N)=C/NC2CNC(C(=O)O)C2)c1.
What is the InChIKey of 4-[[(Z)-2-amino-2-(3-methoxyphenyl)ethenyl]amino]pyrrolidine-2-carboxylic acid?
The InChIKey is KRZKTOGWQRIPIJ-WQLSENKSSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-20-11-4-2-3-9(5-11)12(15)8-16-10-6-13(14(18)19)17-7-10/h2-5,8,10,13,16-17H,6-7,15H2,1H3,(H,18,19)/b12-8-.
What are the key properties of 4-[[(Z)-2-amino-2-(3-methoxyphenyl)ethenyl]amino]pyrrolidine-2-carboxylic acid?
4-[[(Z)-2-amino-2-(3-methoxyphenyl)ethenyl]amino]pyrrolidine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 0.36, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(Z)-2-amino-2-(3-methoxyphenyl)ethenyl]amino]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 155323037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).