3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

C14H17NO3 — CID 115009462

IUPAC3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCOc1ccccc1CN1CC2C(C1)C2C(=O)O
InChIInChI=1S/C14H17NO3/c1-18-12-5-3-2-4-9(12)6-15-7-10-11(8-15)13(10)14(16)17/h2-5,10-11,13H,6-8H2,1H3,(H,16,17)
InChIKeyUKHAKFUAHJHBGD-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.46
Rot. Bonds4

About 3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 115009462) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
PubChem CID115009462
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCOc1ccccc1CN1CC2C(C1)C2C(=O)O
InChIInChI=1S/C14H17NO3/c1-18-12-5-3-2-4-9(12)6-15-7-10-11(8-15)13(10)14(16)17/h2-5,10-11,13H,6-8H2,1H3,(H,16,17)
InChIKeyUKHAKFUAHJHBGD-UHFFFAOYSA-N
XLogP1.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic 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

3-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 156607681
(2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 6937591
1-[(2-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 63863865
1-[(2-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62302595
1-[(2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575175
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
(3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770365
1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845803
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
1-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930206
3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 75514876

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (CID 115009462) is 3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is COc1ccccc1CN1CC2C(C1)C2C(=O)O.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The InChIKey is UKHAKFUAHJHBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-18-12-5-3-2-4-9(12)6-15-7-10-11(8-15)13(10)14(16)17/h2-5,10-11,13H,6-8H2,1H3,(H,16,17).
What are the key properties of 3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 115009462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).