3-[[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino]propanoic acid

C14H17FN2O3 — CID 122019438

IUPAC3-[[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3/c15-11-5-3-10(4-6-11)12-2-1-9-17(12)14(20)16-8-7-13(18)19/h3-6,12H,1-2,7-9H2,(H,16,20)(H,18,19)
InChIKeyPGOWIFDNPANXON-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.15
Rot. Bonds4

About 3-[[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino]propanoic acid

3-[[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino]propanoic acid (PubChem CID 122019438) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino]propanoic acid
PubChem CID122019438
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name3-[[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3/c15-11-5-3-10(4-6-11)12-2-1-9-17(12)14(20)16-8-7-13(18)19/h3-6,12H,1-2,7-9H2,(H,16,20)(H,18,19)
InChIKeyPGOWIFDNPANXON-UHFFFAOYSA-N
XLogP2.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
CID 50746934
3-[(2-thiophen-3-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019398
4-[[2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021682
3-[(2-phenylazetidine-1-carbonyl)amino]propanoic acid
CID 122019325
3-[[2-(4-methoxyphenyl)azepane-1-carbonyl]amino]propanoic acid
CID 122019457
2-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47238327
3-[(2-thiophen-2-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019481
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076857
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 51075833
propan-2-yl 3-[[(2R)-2-phenylpyrrolidine-1-carbonyl]amino]propanoate
CID 94044030
3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122019188
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 51114930

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino]propanoic acid (CID 122019438) is 3-[[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of 3-[[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino]propanoic acid?
The InChIKey is PGOWIFDNPANXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-11-5-3-10(4-6-11)12-2-1-9-17(12)14(20)16-8-7-13(18)19/h3-6,12H,1-2,7-9H2,(H,16,20)(H,18,19).
What are the key properties of 3-[[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino]propanoic acid?
3-[[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino]propanoic acid has a molecular weight of 280.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 122019438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).