3-(1-fluorocyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

C12H20FNO4 — CID 67229314

IUPAC3-(1-fluorocyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)NC(CC1(F)CCC1)C(=O)O
InChIInChI=1S/C12H20FNO4/c1-11(2,3)18-10(17)14-8(9(15)16)7-12(13)5-4-6-12/h8H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyFMPMWDBXLWZJOE-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.25
Rot. Bonds4

About 3-(1-fluorocyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

3-(1-fluorocyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 67229314) has the molecular formula C12H20FNO4 and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-(1-fluorocyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name3-(1-fluorocyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PubChem CID67229314
Molecular FormulaC12H20FNO4
Molecular Weight261.29 g/mol
Exact Mass261.14
IUPAC Name3-(1-fluorocyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)NC(CC1(F)CCC1)C(=O)O
InChIInChI=1S/C12H20FNO4/c1-11(2,3)18-10(17)14-8(9(15)16)7-12(13)5-4-6-12/h8H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyFMPMWDBXLWZJOE-UHFFFAOYSA-N
XLogP2.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1-fluorocyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic 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

N2-[(1,1-dimethylethoxy)carbonyl]-L-lysine
CID 100148
2-(((Tert-butoxy)carbonyl)amino)hexanoic acid
CID 333435
N-tert-Butoxycarbonyl-L-norleucine
CID 2733747
(2S)-2-(((tert-butoxy)carbonyl)amino)-3-cyclohexylpropanoic acid
CID 10588189
epsilon-tert-Butyloxycarbonyl-lysine
CID 2733284
Boc-DL-Cha-OH
CID 2817530
2-(((Tert-butoxy)carbonyl)amino)-2-cyclohexylacetic acid
CID 3559319
(2R)-2-{[(tert-butoxy)carbonyl]amino}hexanoic acid
CID 6992559
(2R)-2-(((tert-butoxy)carbonyl)amino)-2-cyclohexylacetic acid
CID 7014890
Boc-D-Lys-OH
CID 7018770
(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-cyclohexylpropanoic acid
CID 2755927
(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-cyclopentylacetic acid
CID 7020746

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluorocyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The IUPAC name of 3-(1-fluorocyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 67229314) is 3-(1-fluorocyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for 3-(1-fluorocyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for 3-(1-fluorocyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is CC(C)(C)OC(=O)NC(CC1(F)CCC1)C(=O)O.
What is the InChIKey of 3-(1-fluorocyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is FMPMWDBXLWZJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO4/c1-11(2,3)18-10(17)14-8(9(15)16)7-12(13)5-4-6-12/h8H,4-7H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 3-(1-fluorocyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
3-(1-fluorocyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 261.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluorocyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 67229314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).