3-[3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanoic acid

C14H18FN3O3 — CID 119958639

IUPAC3-[3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC(NC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C14H18FN3O3/c15-10-1-3-11(4-2-10)16-14(21)17-12-5-7-18(9-12)8-6-13(19)20/h1-4,12H,5-9H2,(H,19,20)(H2,16,17,21)
InChIKeyIWZSRDSXXQSBOR-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.50
Rot. Bonds5

About 3-[3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanoic acid

3-[3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanoic acid (PubChem CID 119958639) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 3-[3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanoic acid
PubChem CID119958639
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name3-[3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC(NC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C14H18FN3O3/c15-10-1-3-11(4-2-10)16-14(21)17-12-5-7-18(9-12)8-6-13(19)20/h1-4,12H,5-9H2,(H,19,20)(H2,16,17,21)
InChIKeyIWZSRDSXXQSBOR-UHFFFAOYSA-N
XLogP1.50
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanoic acid (CID 119958639) is 3-[3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanoic acid is O=C(O)CCN1CCC(NC(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of 3-[3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanoic acid?
The InChIKey is IWZSRDSXXQSBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c15-10-1-3-11(4-2-10)16-14(21)17-12-5-7-18(9-12)8-6-13(19)20/h1-4,12H,5-9H2,(H,19,20)(H2,16,17,21).
What are the key properties of 3-[3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanoic acid?
3-[3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanoic acid has a molecular weight of 295.31 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 119958639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).