3-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

C13H22FNO4 — CID 81113641

IUPAC3-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(CCCF)(C(=O)O)C1
InChIInChI=1S/C13H22FNO4/c1-12(2,3)19-11(18)15-8-6-13(9-15,10(16)17)5-4-7-14/h4-9H2,1-3H3,(H,16,17)
InChIKeySEJHPMABACGCIH-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.45
Rot. Bonds4

About 3-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

3-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 81113641) has the molecular formula C13H22FNO4 and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
PubChem CID81113641
Molecular FormulaC13H22FNO4
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Name3-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(CCCF)(C(=O)O)C1
InChIInChI=1S/C13H22FNO4/c1-12(2,3)19-11(18)15-8-6-13(9-15,10(16)17)5-4-7-14/h4-9H2,1-3H3,(H,16,17)
InChIKeySEJHPMABACGCIH-UHFFFAOYSA-N
XLogP2.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-((Tert-butoxy)carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 46318385
1-[(Tert-butoxy)carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 47003601
1-((Tert-butoxy)carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 53255455
1-[(Tert-butoxy)carbonyl]-5-methylpyrrolidine-3-carboxylic acid
CID 58504770
(3R,4R)-1-tert-butoxycarbonyl-4-cyclopropyl-pyrrolidine-3-carboxylic acid
CID 58748277
1-(1,1-Dimethylethyl) 3-(fluoromethyl)-1,3-pyrrolidinedicarboxylate
CID 59556108
1-((Tert-butoxy)carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63140943
1-[(Tert-butoxy)carbonyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709244
2-{1-[(Tert-butoxy)carbonyl]pyrrolidin-2-yl}-2-methylpropanoic acid
CID 67850461
1-[(Tert-butoxy)carbonyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 68647170
1-[(Tert-butoxy)carbonyl]-3-(prop-2-yn-1-yl)pyrrolidine-3-carboxylic acid
CID 79421149
2-{1-[(Tert-butoxy)carbonyl]pyrrolidin-3-yl}-2-methylpropanoic acid
CID 84078809

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid (CID 81113641) is 3-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid is CC(C)(C)OC(=O)N1CCC(CCCF)(C(=O)O)C1.
What is the InChIKey of 3-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is SEJHPMABACGCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNO4/c1-12(2,3)19-11(18)15-8-6-13(9-15,10(16)17)5-4-7-14/h4-9H2,1-3H3,(H,16,17).
What are the key properties of 3-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid?
3-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 275.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 81113641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).