2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid

C15H21NO4 — CID 81133466

IUPAC2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid
SMILESCOc1cccc(C(O)CN2CCCC2CC(=O)O)c1
InChIInChI=1S/C15H21NO4/c1-20-13-6-2-4-11(8-13)14(17)10-16-7-3-5-12(16)9-15(18)19/h2,4,6,8,12,14,17H,3,5,7,9-10H2,1H3,(H,18,19)
InChIKeyVCDCZTOCKJBTFA-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.67
Rot. Bonds6

About 2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid

2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid (PubChem CID 81133466) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid
PubChem CID81133466
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid
SMILESCOc1cccc(C(O)CN2CCCC2CC(=O)O)c1
InChIInChI=1S/C15H21NO4/c1-20-13-6-2-4-11(8-13)14(17)10-16-7-3-5-12(16)9-15(18)19/h2,4,6,8,12,14,17H,3,5,7,9-10H2,1H3,(H,18,19)
InChIKeyVCDCZTOCKJBTFA-UHFFFAOYSA-N
XLogP1.67
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic 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

1-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]propan-2-one
CID 81133458
2-[1-(2-hydroxy-2-phenylethyl)pyrrolidin-2-yl]acetic acid
CID 61372497
2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61369953
1-(3-methoxyphenyl)-2-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol
CID 111489071
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 81134822
N,N-diethyl-1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 111380972
2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid
CID 65067815
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103197650
(1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride
CID 70591371
1-(3-methoxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]ethanol
CID 106025460
methyl 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylate
CID 78966764
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103670655

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid (CID 81133466) is 2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid is COc1cccc(C(O)CN2CCCC2CC(=O)O)c1.
What is the InChIKey of 2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is VCDCZTOCKJBTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-20-13-6-2-4-11(8-13)14(17)10-16-7-3-5-12(16)9-15(18)19/h2,4,6,8,12,14,17H,3,5,7,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid?
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 81133466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).