1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid

C14H20N2O3 — CID 44890915

IUPAC1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCOc1ccccc1C(CN)N1CCC(C(=O)O)C1
InChIInChI=1S/C14H20N2O3/c1-19-13-5-3-2-4-11(13)12(8-15)16-7-6-10(9-16)14(17)18/h2-5,10,12H,6-9,15H2,1H3,(H,17,18)
InChIKeyDMSZWLDMGGTLDP-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.10
Rot. Bonds5

About 1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid

1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 44890915) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID44890915
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCOc1ccccc1C(CN)N1CCC(C(=O)O)C1
InChIInChI=1S/C14H20N2O3/c1-19-13-5-3-2-4-11(13)12(8-15)16-7-6-10(9-16)14(17)18/h2-5,10,12H,6-9,15H2,1H3,(H,17,18)
InChIKeyDMSZWLDMGGTLDP-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(1S)-2-amino-1-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124824548
1-[2-amino-1-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 44890949
(3R)-1-[(1R)-2-amino-1-(2-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124784509
(3R)-1-[(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124747076
[1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]methanol
CID 112624382
1-[2-amino-1-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 44890916
1-[bis(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 5171074
[1-[2-amino-1-(2-methoxyphenyl)ethyl]piperidin-3-yl]methanol
CID 55022224
2-(4-ethylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanamine
CID 61420799
1-[1-[2-(difluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 65066569
1-[(4-ethylphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3921354
1-[2-amino-1-(4-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 44890902

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid (CID 44890915) is 1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid is COc1ccccc1C(CN)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is DMSZWLDMGGTLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-13-5-3-2-4-11(13)12(8-15)16-7-6-10(9-16)14(17)18/h2-5,10,12H,6-9,15H2,1H3,(H,17,18).
What are the key properties of 1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid?
1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 44890915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).