2-amino-2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetic acid

C14H20N2O3 — CID 83980971

IUPAC2-amino-2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetic acid
SMILESCOc1cccc(CN2CCC(C(N)C(=O)O)C2)c1
InChIInChI=1S/C14H20N2O3/c1-19-12-4-2-3-10(7-12)8-16-6-5-11(9-16)13(15)14(17)18/h2-4,7,11,13H,5-6,8-9,15H2,1H3,(H,17,18)
InChIKeyCEQRQPDULJUYMJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.93
Rot. Bonds5

About 2-amino-2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetic acid

2-amino-2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetic acid (PubChem CID 83980971) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-amino-2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetic acid
PubChem CID83980971
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-amino-2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetic acid
SMILESCOc1cccc(CN2CCC(C(N)C(=O)O)C2)c1
InChIInChI=1S/C14H20N2O3/c1-19-12-4-2-3-10(7-12)8-16-6-5-11(9-16)13(15)14(17)18/h2-4,7,11,13H,5-6,8-9,15H2,1H3,(H,17,18)
InChIKeyCEQRQPDULJUYMJ-UHFFFAOYSA-N
XLogP0.93
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-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-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-amine
CID 83980975
1-[(3-methoxyphenyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918664
2-amino-2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]acetic acid
CID 83982652
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
2-amino-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]acetic acid
CID 83980821
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
ethyl 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980965
4-(1-bromoethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 106838408
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116684643
1-[(3-ethoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65066222

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-amino-2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetic acid (CID 83980971) is 2-amino-2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-amino-2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetic acid is COc1cccc(CN2CCC(C(N)C(=O)O)C2)c1.
What is the InChIKey of 2-amino-2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetic acid?
The InChIKey is CEQRQPDULJUYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-12-4-2-3-10(7-12)8-16-6-5-11(9-16)13(15)14(17)18/h2-4,7,11,13H,5-6,8-9,15H2,1H3,(H,17,18).
What are the key properties of 2-amino-2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetic acid?
2-amino-2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 83980971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).