5-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid

C14H19NO4 — CID 117416959

IUPAC5-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid
SMILESCOCCOc1ccc(C2CC(C(=O)O)CN2)cc1
InChIInChI=1S/C14H19NO4/c1-18-6-7-19-12-4-2-10(3-5-12)13-8-11(9-15-13)14(16)17/h2-5,11,13,15H,6-9H2,1H3,(H,16,17)
InChIKeyGNXBGVXIVKNLCN-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.45
Rot. Bonds6

About 5-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid

5-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid (PubChem CID 117416959) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid
PubChem CID117416959
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name5-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid
SMILESCOCCOc1ccc(C2CC(C(=O)O)CN2)cc1
InChIInChI=1S/C14H19NO4/c1-18-6-7-19-12-4-2-10(3-5-12)13-8-11(9-15-13)14(16)17/h2-5,11,13,15H,6-9H2,1H3,(H,16,17)
InChIKeyGNXBGVXIVKNLCN-UHFFFAOYSA-N
XLogP1.45
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[4-(2-methoxy-2-methylpropyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117116969
5-(4-bromophenyl)pyrrolidine-3-carboxylic acid
CID 82625541
5-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117116960
5-[4-(difluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117354565
5-[4-(1-methylazetidin-3-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117405334
5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxylic acid
CID 117470579
5-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid
CID 117376080
5-(3-methoxy-4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117412803
5-(1H-indol-6-yl)pyrrolidine-3-carboxylic acid
CID 117332582
5-[2-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine-3-carboxylic acid
CID 117117011
5-[4-(1H-imidazol-2-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117396333
4-(4-butoxyphenyl)cyclohexane-1-carboxylic acid
CID 56638920

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid (CID 117416959) is 5-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid is COCCOc1ccc(C2CC(C(=O)O)CN2)cc1.
What is the InChIKey of 5-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid?
The InChIKey is GNXBGVXIVKNLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-6-7-19-12-4-2-10(3-5-12)13-8-11(9-15-13)14(16)17/h2-5,11,13,15H,6-9H2,1H3,(H,16,17).
What are the key properties of 5-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid?
5-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117416959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).