2-[4-chloro-2-methoxy-6-(pyrrolidin-1-ylmethyl)phenoxy]propanoic acid

C15H20ClNO4 — CID 77089818

IUPAC2-[4-chloro-2-methoxy-6-(pyrrolidin-1-ylmethyl)phenoxy]propanoic acid
SMILESCOc1cc(Cl)cc(CN2CCCC2)c1OC(C)C(=O)O
InChIInChI=1S/C15H20ClNO4/c1-10(15(18)19)21-14-11(9-17-5-3-4-6-17)7-12(16)8-13(14)20-2/h7-8,10H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyAZHOCOYGMWYKOK-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.80
Rot. Bonds6

About 2-[4-chloro-2-methoxy-6-(pyrrolidin-1-ylmethyl)phenoxy]propanoic acid

2-[4-chloro-2-methoxy-6-(pyrrolidin-1-ylmethyl)phenoxy]propanoic acid (PubChem CID 77089818) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-[4-chloro-2-methoxy-6-(pyrrolidin-1-ylmethyl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-chloro-2-methoxy-6-(pyrrolidin-1-ylmethyl)phenoxy]propanoic acid
PubChem CID77089818
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name2-[4-chloro-2-methoxy-6-(pyrrolidin-1-ylmethyl)phenoxy]propanoic acid
SMILESCOc1cc(Cl)cc(CN2CCCC2)c1OC(C)C(=O)O
InChIInChI=1S/C15H20ClNO4/c1-10(15(18)19)21-14-11(9-17-5-3-4-6-17)7-12(16)8-13(14)20-2/h7-8,10H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyAZHOCOYGMWYKOK-UHFFFAOYSA-N
XLogP2.80
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-chloro-2-methoxy-6-(pyrrolidin-1-ylmethyl)phenoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[4-chloro-2-methoxy-6-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]propanoic acid
CID 99950357
2-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid
CID 104665197
methyl 2-[2-(2-aminopropyl)-4-chloro-6-methoxyphenoxy]propanoate
CID 104667066
5-chloro-3-methoxy-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzaldehyde
CID 104665561
3-methoxy-4-(piperidin-1-ylmethyl)benzoic acid
CID 117219368
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]butanoic acid
CID 113438827
2-[2-(2-aminoethyl)-4-chloro-6-methoxyphenoxy]-N-prop-2-ynylpropanamide
CID 104666760
1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine
CID 117495714
N-[[1-[(5-chloro-2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 56704279
[4-[(5-chloro-2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 77084550
2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
CID 104664230
oxalic acid;1-[(3,4,5-trimethoxyphenyl)methyl]azepane
CID 23724185

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-methoxy-6-(pyrrolidin-1-ylmethyl)phenoxy]propanoic acid?
The IUPAC name of 2-[4-chloro-2-methoxy-6-(pyrrolidin-1-ylmethyl)phenoxy]propanoic acid (CID 77089818) is 2-[4-chloro-2-methoxy-6-(pyrrolidin-1-ylmethyl)phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-chloro-2-methoxy-6-(pyrrolidin-1-ylmethyl)phenoxy]propanoic acid?
The canonical SMILES for 2-[4-chloro-2-methoxy-6-(pyrrolidin-1-ylmethyl)phenoxy]propanoic acid is COc1cc(Cl)cc(CN2CCCC2)c1OC(C)C(=O)O.
What is the InChIKey of 2-[4-chloro-2-methoxy-6-(pyrrolidin-1-ylmethyl)phenoxy]propanoic acid?
The InChIKey is AZHOCOYGMWYKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-10(15(18)19)21-14-11(9-17-5-3-4-6-17)7-12(16)8-13(14)20-2/h7-8,10H,3-6,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-chloro-2-methoxy-6-(pyrrolidin-1-ylmethyl)phenoxy]propanoic acid?
2-[4-chloro-2-methoxy-6-(pyrrolidin-1-ylmethyl)phenoxy]propanoic acid has a molecular weight of 313.78 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-methoxy-6-(pyrrolidin-1-ylmethyl)phenoxy]propanoic acid is sourced from PubChem (CID 77089818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).