2-amino-3-carbamoyl-4,4-difluorobutanoic acid

C5H8F2N2O3 — CID 87815167

IUPAC2-amino-3-carbamoyl-4,4-difluorobutanoic acid
SMILESNC(=O)C(C(F)F)C(N)C(=O)O
InChIInChI=1S/C5H8F2N2O3/c6-3(7)1(4(9)10)2(8)5(11)12/h1-3H,8H2,(H2,9,10)(H,11,12)
InChIKeyRFUREPLFJWAIAH-UHFFFAOYSA-N
MW182.13 g/mol
LogP-1.24
Rot. Bonds4

About 2-amino-3-carbamoyl-4,4-difluorobutanoic acid

2-amino-3-carbamoyl-4,4-difluorobutanoic acid (PubChem CID 87815167) has the molecular formula C5H8F2N2O3 and a molecular weight of 182.13 g/mol. Its IUPAC name is 2-amino-3-carbamoyl-4,4-difluorobutanoic acid.

Molecular Properties

Compound Name2-amino-3-carbamoyl-4,4-difluorobutanoic acid
PubChem CID87815167
Molecular FormulaC5H8F2N2O3
Molecular Weight182.13 g/mol
Exact Mass182.05
IUPAC Name2-amino-3-carbamoyl-4,4-difluorobutanoic acid
SMILESNC(=O)C(C(F)F)C(N)C(=O)O
InChIInChI=1S/C5H8F2N2O3/c6-3(7)1(4(9)10)2(8)5(11)12/h1-3H,8H2,(H2,9,10)(H,11,12)
InChIKeyRFUREPLFJWAIAH-UHFFFAOYSA-N
XLogP-1.24
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.13
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-carbamoyl-4,4-difluorobutanoic acid?
The IUPAC name of 2-amino-3-carbamoyl-4,4-difluorobutanoic acid (CID 87815167) is 2-amino-3-carbamoyl-4,4-difluorobutanoic acid.
What is the SMILES notation for 2-amino-3-carbamoyl-4,4-difluorobutanoic acid?
The canonical SMILES for 2-amino-3-carbamoyl-4,4-difluorobutanoic acid is NC(=O)C(C(F)F)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-carbamoyl-4,4-difluorobutanoic acid?
The InChIKey is RFUREPLFJWAIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2O3/c6-3(7)1(4(9)10)2(8)5(11)12/h1-3H,8H2,(H2,9,10)(H,11,12).
What are the key properties of 2-amino-3-carbamoyl-4,4-difluorobutanoic acid?
2-amino-3-carbamoyl-4,4-difluorobutanoic acid has a molecular weight of 182.13 g/mol, XLogP of -1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-carbamoyl-4,4-difluorobutanoic acid is sourced from PubChem (CID 87815167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).