2-[[1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]-methylamino]propanoic acid

C16H21FN2O3 — CID 154740345

IUPAC2-[[1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)C1CCCN1Cc1ccc(F)cc1
InChIInChI=1S/C16H21FN2O3/c1-11(16(21)22)18(2)15(20)14-4-3-9-19(14)10-12-5-7-13(17)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,21,22)
InChIKeyGEICBMRSNOJBHD-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.72
Rot. Bonds5

About 2-[[1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]-methylamino]propanoic acid

2-[[1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]-methylamino]propanoic acid (PubChem CID 154740345) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is 2-[[1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]-methylamino]propanoic acid
PubChem CID154740345
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name2-[[1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)C1CCCN1Cc1ccc(F)cc1
InChIInChI=1S/C16H21FN2O3/c1-11(16(21)22)18(2)15(20)14-4-3-9-19(14)10-12-5-7-13(17)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,21,22)
InChIKeyGEICBMRSNOJBHD-UHFFFAOYSA-N
XLogP1.72
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-benzylpyrrolidine-2-carbonyl)-methylamino]propanoic acid
CID 119358457
3-[[1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]-methylamino]propanoic acid
CID 119362431
1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078
[4-(1-aminoethyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone
CID 119518177
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone
CID 124779272
1-[(4-fluorophenyl)methyl]-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120826744
(2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide
CID 91756900
3-[[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 125118795
1-[2-(4-fluorophenyl)propyl]pyrrolidine-2-carboxylic acid
CID 122036591
(2R)-1-[2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 124689630
(2S)-1-[2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 124689638
1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61413418

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]-methylamino]propanoic acid (CID 154740345) is 2-[[1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)C1CCCN1Cc1ccc(F)cc1.
What is the InChIKey of 2-[[1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]-methylamino]propanoic acid?
The InChIKey is GEICBMRSNOJBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-11(16(21)22)18(2)15(20)14-4-3-9-19(14)10-12-5-7-13(17)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,21,22).
What are the key properties of 2-[[1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]-methylamino]propanoic acid?
2-[[1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]-methylamino]propanoic acid has a molecular weight of 308.35 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 154740345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).