2-amino-2-[1-(4-fluorophenyl)pyrrolidin-3-yl]acetic acid

C12H15FN2O2 — CID 83981558

IUPAC2-amino-2-[1-(4-fluorophenyl)pyrrolidin-3-yl]acetic acid
SMILESNC(C(=O)O)C1CCN(c2ccc(F)cc2)C1
InChIInChI=1S/C12H15FN2O2/c13-9-1-3-10(4-2-9)15-6-5-8(7-15)11(14)12(16)17/h1-4,8,11H,5-7,14H2,(H,16,17)
InChIKeyQVPVVRKWAYWNBL-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.06
Rot. Bonds3

About 2-amino-2-[1-(4-fluorophenyl)pyrrolidin-3-yl]acetic acid

2-amino-2-[1-(4-fluorophenyl)pyrrolidin-3-yl]acetic acid (PubChem CID 83981558) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-amino-2-[1-(4-fluorophenyl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[1-(4-fluorophenyl)pyrrolidin-3-yl]acetic acid
PubChem CID83981558
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name2-amino-2-[1-(4-fluorophenyl)pyrrolidin-3-yl]acetic acid
SMILESNC(C(=O)O)C1CCN(c2ccc(F)cc2)C1
InChIInChI=1S/C12H15FN2O2/c13-9-1-3-10(4-2-9)15-6-5-8(7-15)11(14)12(16)17/h1-4,8,11H,5-7,14H2,(H,16,17)
InChIKeyQVPVVRKWAYWNBL-UHFFFAOYSA-N
XLogP1.06
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-[1-(4-fluorophenyl)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

2,2-bis(1-phenylpyrrolidin-3-yl)acetamide
CID 70460540
2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120796792
4-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]aniline
CID 129499176
[1-(4-fluorophenyl)piperidin-4-yl]urea
CID 68772038
4-(4-fluorophenyl)-1-methylpiperazine-2-carboxylic acid
CID 66509723
2-fluoro-2-(1-phenylpiperidin-4-yl)acetic acid
CID 106820681
2-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]-2-(ethylamino)acetic acid
CID 83981645
1-(4-fluorophenyl)piperidin-4-amine;hydrochloride
CID 53442031
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]hexanoic acid
CID 142749397
1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112625956
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanamine
CID 103976672
1-(1-phenylpyrrolidin-3-yl)propan-1-amine
CID 83981120

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[1-(4-fluorophenyl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-amino-2-[1-(4-fluorophenyl)pyrrolidin-3-yl]acetic acid (CID 83981558) is 2-amino-2-[1-(4-fluorophenyl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[1-(4-fluorophenyl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-amino-2-[1-(4-fluorophenyl)pyrrolidin-3-yl]acetic acid is NC(C(=O)O)C1CCN(c2ccc(F)cc2)C1.
What is the InChIKey of 2-amino-2-[1-(4-fluorophenyl)pyrrolidin-3-yl]acetic acid?
The InChIKey is QVPVVRKWAYWNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-9-1-3-10(4-2-9)15-6-5-8(7-15)11(14)12(16)17/h1-4,8,11H,5-7,14H2,(H,16,17).
What are the key properties of 2-amino-2-[1-(4-fluorophenyl)pyrrolidin-3-yl]acetic acid?
2-amino-2-[1-(4-fluorophenyl)pyrrolidin-3-yl]acetic acid has a molecular weight of 238.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[1-(4-fluorophenyl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 83981558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).