(2S,4R)-4-(tert-butylamino)-2-(difluoromethyl)pyrrolidine-1-carboxylic acid

C10H18F2N2O2 — CID 66670422

IUPAC(2S,4R)-4-(tert-butylamino)-2-(difluoromethyl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)N[C@@H]1C[C@@H](C(F)F)N(C(=O)O)C1
InChIInChI=1S/C10H18F2N2O2/c1-10(2,3)13-6-4-7(8(11)12)14(5-6)9(15)16/h6-8,13H,4-5H2,1-3H3,(H,15,16)/t6-,7+/m1/s1
InChIKeyZTZDRTZXKIELCU-RQJHMYQMSA-N
MW236.26 g/mol
LogP1.76
Rot. Bonds2

About (2S,4R)-4-(tert-butylamino)-2-(difluoromethyl)pyrrolidine-1-carboxylic acid

(2S,4R)-4-(tert-butylamino)-2-(difluoromethyl)pyrrolidine-1-carboxylic acid (PubChem CID 66670422) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is (2S,4R)-4-(tert-butylamino)-2-(difluoromethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-(tert-butylamino)-2-(difluoromethyl)pyrrolidine-1-carboxylic acid
PubChem CID66670422
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name(2S,4R)-4-(tert-butylamino)-2-(difluoromethyl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)N[C@@H]1C[C@@H](C(F)F)N(C(=O)O)C1
InChIInChI=1S/C10H18F2N2O2/c1-10(2,3)13-6-4-7(8(11)12)14(5-6)9(15)16/h6-8,13H,4-5H2,1-3H3,(H,15,16)/t6-,7+/m1/s1
InChIKeyZTZDRTZXKIELCU-RQJHMYQMSA-N
XLogP1.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,4R)-4-(tert-butylamino)-2-(difluoromethyl)pyrrolidine-1-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

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(tert-butylamino)-2-(difluoromethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,4R)-4-(tert-butylamino)-2-(difluoromethyl)pyrrolidine-1-carboxylic acid (CID 66670422) is (2S,4R)-4-(tert-butylamino)-2-(difluoromethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-(tert-butylamino)-2-(difluoromethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,4R)-4-(tert-butylamino)-2-(difluoromethyl)pyrrolidine-1-carboxylic acid is CC(C)(C)N[C@@H]1C[C@@H](C(F)F)N(C(=O)O)C1.
What is the InChIKey of (2S,4R)-4-(tert-butylamino)-2-(difluoromethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is ZTZDRTZXKIELCU-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-10(2,3)13-6-4-7(8(11)12)14(5-6)9(15)16/h6-8,13H,4-5H2,1-3H3,(H,15,16)/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-4-(tert-butylamino)-2-(difluoromethyl)pyrrolidine-1-carboxylic acid?
(2S,4R)-4-(tert-butylamino)-2-(difluoromethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 236.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(tert-butylamino)-2-(difluoromethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 66670422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).