1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid

C15H17FN2O4 — CID 72523464

IUPAC1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(Cc1cccc(F)c1)NCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C15H17FN2O4/c16-11-4-1-3-10(7-11)8-13(19)17-9-14(20)18-6-2-5-12(18)15(21)22/h1,3-4,7,12H,2,5-6,8-9H2,(H,17,19)(H,21,22)
InChIKeyMORIVBHEXSGVQO-UHFFFAOYSA-N
MW308.31 g/mol
LogP0.56
Rot. Bonds5

About 1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid

1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 72523464) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is 1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid
PubChem CID72523464
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(Cc1cccc(F)c1)NCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C15H17FN2O4/c16-11-4-1-3-10(7-11)8-13(19)17-9-14(20)18-6-2-5-12(18)15(21)22/h1,3-4,7,12H,2,5-6,8-9H2,(H,17,19)(H,21,22)
InChIKeyMORIVBHEXSGVQO-UHFFFAOYSA-N
XLogP0.56
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-fluorobenzoyl)amino]acetyl]piperidine-2-carboxylic acid
CID 120515000
1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61195010
1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 119169029
(2S)-1-[(3-fluorophenyl)methylcarbamothioyl]pyrrolidine-2-carboxylic acid
CID 87886541
(2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119371080
3-amino-N-[[1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]piperidin-2-yl]methyl]propanamide
CID 120578113
(2R)-1-[2-[(3-chlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 78920198
N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 119032269
N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-3-fluorobenzamide
CID 78839778
1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 16796004
1-[2-(3-fluorophenyl)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069665
(2R)-1-[2-(2,5-difluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 96667389

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid (CID 72523464) is 1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid is O=C(Cc1cccc(F)c1)NCC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MORIVBHEXSGVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4/c16-11-4-1-3-10(7-11)8-13(19)17-9-14(20)18-6-2-5-12(18)15(21)22/h1,3-4,7,12H,2,5-6,8-9H2,(H,17,19)(H,21,22).
What are the key properties of 1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid?
1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 308.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 72523464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).