1-[1-(4-aminophenyl)propan-2-yl]pyrrolidine-2-carboxylic acid

C14H20N2O2 — CID 82255982

IUPAC1-[1-(4-aminophenyl)propan-2-yl]pyrrolidine-2-carboxylic acid
SMILESCC(Cc1ccc(N)cc1)N1CCCC1C(=O)O
InChIInChI=1S/C14H20N2O2/c1-10(9-11-4-6-12(15)7-5-11)16-8-2-3-13(16)14(17)18/h4-7,10,13H,2-3,8-9,15H2,1H3,(H,17,18)
InChIKeyFUKZZBBRSYHZRX-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.75
Rot. Bonds4

About 1-[1-(4-aminophenyl)propan-2-yl]pyrrolidine-2-carboxylic acid

1-[1-(4-aminophenyl)propan-2-yl]pyrrolidine-2-carboxylic acid (PubChem CID 82255982) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[1-(4-aminophenyl)propan-2-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-aminophenyl)propan-2-yl]pyrrolidine-2-carboxylic acid
PubChem CID82255982
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[1-(4-aminophenyl)propan-2-yl]pyrrolidine-2-carboxylic acid
SMILESCC(Cc1ccc(N)cc1)N1CCCC1C(=O)O
InChIInChI=1S/C14H20N2O2/c1-10(9-11-4-6-12(15)7-5-11)16-8-2-3-13(16)14(17)18/h4-7,10,13H,2-3,8-9,15H2,1H3,(H,17,18)
InChIKeyFUKZZBBRSYHZRX-UHFFFAOYSA-N
XLogP1.75
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[1-(furan-2-yl)propan-2-yl]azepane-2-carboxylic acid
CID 65069664
1-[1-(2-fluorophenyl)propan-2-yl]azepane-2-carboxylic acid
CID 114834790
1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
CID 110185971
1-octan-2-ylpyrrolidine-2-carboxylic acid
CID 65056476
1-[iodo(phenyl)methyl]pyrrolidine-2-carboxylic acid
CID 69182607
1-[(4-ethylphenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 4011103
2-methyl-1-(1-phenylpropan-2-yl)pyrrolidine-3-carboxylic acid
CID 79383005
[(2S)-1-[(2R)-1-(4-fluorophenyl)propan-2-yl]pyrrolidin-2-yl]methanamine
CID 100597047
1-[1-(4-aminophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 54986110
1-[(4-ethylphenyl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3427116
1-[(4-aminophenyl)methyl]pyrrolidine-2-carboxamide
CID 43212133
1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 103868722

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminophenyl)propan-2-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(4-aminophenyl)propan-2-yl]pyrrolidine-2-carboxylic acid (CID 82255982) is 1-[1-(4-aminophenyl)propan-2-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(4-aminophenyl)propan-2-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(4-aminophenyl)propan-2-yl]pyrrolidine-2-carboxylic acid is CC(Cc1ccc(N)cc1)N1CCCC1C(=O)O.
What is the InChIKey of 1-[1-(4-aminophenyl)propan-2-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is FUKZZBBRSYHZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(9-11-4-6-12(15)7-5-11)16-8-2-3-13(16)14(17)18/h4-7,10,13H,2-3,8-9,15H2,1H3,(H,17,18).
What are the key properties of 1-[1-(4-aminophenyl)propan-2-yl]pyrrolidine-2-carboxylic acid?
1-[1-(4-aminophenyl)propan-2-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminophenyl)propan-2-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82255982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).