(3S)-3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxylic acid

C7H10F2N2O3 — CID 69072739

IUPAC(3S)-3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxylic acid
SMILESO=C(N[C@H]1CCN(C(=O)O)C1)C(F)F
InChIInChI=1S/C7H10F2N2O3/c8-5(9)6(12)10-4-1-2-11(3-4)7(13)14/h4-5H,1-3H2,(H,10,12)(H,13,14)/t4-/m0/s1
InChIKeyDQALOJOOZDAVES-BYPYZUCNSA-N
MW208.16 g/mol
LogP0.12
Rot. Bonds2

About (3S)-3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxylic acid

(3S)-3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxylic acid (PubChem CID 69072739) has the molecular formula C7H10F2N2O3 and a molecular weight of 208.16 g/mol. Its IUPAC name is (3S)-3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxylic acid
PubChem CID69072739
Molecular FormulaC7H10F2N2O3
Molecular Weight208.16 g/mol
Exact Mass208.07
IUPAC Name(3S)-3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxylic acid
SMILESO=C(N[C@H]1CCN(C(=O)O)C1)C(F)F
InChIInChI=1S/C7H10F2N2O3/c8-5(9)6(12)10-4-1-2-11(3-4)7(13)14/h4-5H,1-3H2,(H,10,12)(H,13,14)/t4-/m0/s1
InChIKeyDQALOJOOZDAVES-BYPYZUCNSA-N
XLogP0.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.16
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3S)-3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxylic acid (CID 69072739) is (3S)-3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3S)-3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxylic acid is O=C(N[C@H]1CCN(C(=O)O)C1)C(F)F.
What is the InChIKey of (3S)-3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxylic acid?
The InChIKey is DQALOJOOZDAVES-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H10F2N2O3/c8-5(9)6(12)10-4-1-2-11(3-4)7(13)14/h4-5H,1-3H2,(H,10,12)(H,13,14)/t4-/m0/s1.
What are the key properties of (3S)-3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxylic acid?
(3S)-3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxylic acid has a molecular weight of 208.16 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 69072739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).