3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid

C15H19FN2O3 — CID 122019188

IUPAC3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CCCC1Cc1cccc(F)c1
InChIInChI=1S/C15H19FN2O3/c16-12-4-1-3-11(9-12)10-13-5-2-8-18(13)15(21)17-7-6-14(19)20/h1,3-4,9,13H,2,5-8,10H2,(H,17,21)(H,19,20)
InChIKeyDIQREOJYJOTGBW-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.02
Rot. Bonds5

About 3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid

3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid (PubChem CID 122019188) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid
PubChem CID122019188
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CCCC1Cc1cccc(F)c1
InChIInChI=1S/C15H19FN2O3/c16-12-4-1-3-11(9-12)10-13-5-2-8-18(13)15(21)17-7-6-14(19)20/h1,3-4,9,13H,2,5-8,10H2,(H,17,21)(H,19,20)
InChIKeyDIQREOJYJOTGBW-UHFFFAOYSA-N
XLogP2.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021427
2-[1-[2-(3-fluorophenyl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371368
2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119296824
3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122018496
2-[ethyl-[3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026790
2-[(3-fluorophenyl)methyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 126767498
4-[[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid
CID 122021549
(2S)-2-[(3-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 94806056
1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61195010
[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 71880144
N-[(3-fluorophenyl)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 108898597
N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-3-fluorobenzamide
CID 78839778

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid (CID 122019188) is 3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)N1CCCC1Cc1cccc(F)c1.
What is the InChIKey of 3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid?
The InChIKey is DIQREOJYJOTGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-12-4-1-3-11(9-12)10-13-5-2-8-18(13)15(21)17-7-6-14(19)20/h1,3-4,9,13H,2,5-8,10H2,(H,17,21)(H,19,20).
What are the key properties of 3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid?
3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid has a molecular weight of 294.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 122019188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).