[1-(3-fluoropyrrolidin-3-yl)-2,2-dimethylpropyl]carbamic acid

C10H19FN2O2 — CID 68804689

IUPAC[1-(3-fluoropyrrolidin-3-yl)-2,2-dimethylpropyl]carbamic acid
SMILESCC(C)(C)C(NC(=O)O)C1(F)CCNC1
InChIInChI=1S/C10H19FN2O2/c1-9(2,3)7(13-8(14)15)10(11)4-5-12-6-10/h7,12-13H,4-6H2,1-3H3,(H,14,15)
InChIKeyVTDMQXAOJXXOSD-UHFFFAOYSA-N
MW218.27 g/mol
LogP1.37
Rot. Bonds2

About [1-(3-fluoropyrrolidin-3-yl)-2,2-dimethylpropyl]carbamic acid

[1-(3-fluoropyrrolidin-3-yl)-2,2-dimethylpropyl]carbamic acid (PubChem CID 68804689) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is [1-(3-fluoropyrrolidin-3-yl)-2,2-dimethylpropyl]carbamic acid.

Molecular Properties

Compound Name[1-(3-fluoropyrrolidin-3-yl)-2,2-dimethylpropyl]carbamic acid
PubChem CID68804689
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name[1-(3-fluoropyrrolidin-3-yl)-2,2-dimethylpropyl]carbamic acid
SMILESCC(C)(C)C(NC(=O)O)C1(F)CCNC1
InChIInChI=1S/C10H19FN2O2/c1-9(2,3)7(13-8(14)15)10(11)4-5-12-6-10/h7,12-13H,4-6H2,1-3H3,(H,14,15)
InChIKeyVTDMQXAOJXXOSD-UHFFFAOYSA-N
XLogP1.37
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [1-(3-fluoropyrrolidin-3-yl)-2,2-dimethylpropyl]carbamic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoropyrrolidin-3-yl)-2,2-dimethylpropyl]carbamic acid?
The IUPAC name of [1-(3-fluoropyrrolidin-3-yl)-2,2-dimethylpropyl]carbamic acid (CID 68804689) is [1-(3-fluoropyrrolidin-3-yl)-2,2-dimethylpropyl]carbamic acid.
What is the SMILES notation for [1-(3-fluoropyrrolidin-3-yl)-2,2-dimethylpropyl]carbamic acid?
The canonical SMILES for [1-(3-fluoropyrrolidin-3-yl)-2,2-dimethylpropyl]carbamic acid is CC(C)(C)C(NC(=O)O)C1(F)CCNC1.
What is the InChIKey of [1-(3-fluoropyrrolidin-3-yl)-2,2-dimethylpropyl]carbamic acid?
The InChIKey is VTDMQXAOJXXOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-9(2,3)7(13-8(14)15)10(11)4-5-12-6-10/h7,12-13H,4-6H2,1-3H3,(H,14,15).
What are the key properties of [1-(3-fluoropyrrolidin-3-yl)-2,2-dimethylpropyl]carbamic acid?
[1-(3-fluoropyrrolidin-3-yl)-2,2-dimethylpropyl]carbamic acid has a molecular weight of 218.27 g/mol, XLogP of 1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoropyrrolidin-3-yl)-2,2-dimethylpropyl]carbamic acid is sourced from PubChem (CID 68804689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).