2-acetamido-5-amino-2-(difluoromethyl)pentanoic acid

C8H14F2N2O3 — CID 19966338

IUPAC2-acetamido-5-amino-2-(difluoromethyl)pentanoic acid
SMILESCC(=O)NC(CCCN)(C(=O)O)C(F)F
InChIInChI=1S/C8H14F2N2O3/c1-5(13)12-8(6(9)10,7(14)15)3-2-4-11/h6H,2-4,11H2,1H3,(H,12,13)(H,14,15)
InChIKeySBZRCMCCZJYLCX-UHFFFAOYSA-N
MW224.21 g/mol
LogP-0.05
Rot. Bonds6

About 2-acetamido-5-amino-2-(difluoromethyl)pentanoic acid

2-acetamido-5-amino-2-(difluoromethyl)pentanoic acid (PubChem CID 19966338) has the molecular formula C8H14F2N2O3 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-acetamido-5-amino-2-(difluoromethyl)pentanoic acid.

Molecular Properties

Compound Name2-acetamido-5-amino-2-(difluoromethyl)pentanoic acid
PubChem CID19966338
Molecular FormulaC8H14F2N2O3
Molecular Weight224.21 g/mol
Exact Mass224.10
IUPAC Name2-acetamido-5-amino-2-(difluoromethyl)pentanoic acid
SMILESCC(=O)NC(CCCN)(C(=O)O)C(F)F
InChIInChI=1S/C8H14F2N2O3/c1-5(13)12-8(6(9)10,7(14)15)3-2-4-11/h6H,2-4,11H2,1H3,(H,12,13)(H,14,15)
InChIKeySBZRCMCCZJYLCX-UHFFFAOYSA-N
XLogP-0.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-amino-2-(difluoromethyl)pentanoic acid?
The IUPAC name of 2-acetamido-5-amino-2-(difluoromethyl)pentanoic acid (CID 19966338) is 2-acetamido-5-amino-2-(difluoromethyl)pentanoic acid.
What is the SMILES notation for 2-acetamido-5-amino-2-(difluoromethyl)pentanoic acid?
The canonical SMILES for 2-acetamido-5-amino-2-(difluoromethyl)pentanoic acid is CC(=O)NC(CCCN)(C(=O)O)C(F)F.
What is the InChIKey of 2-acetamido-5-amino-2-(difluoromethyl)pentanoic acid?
The InChIKey is SBZRCMCCZJYLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O3/c1-5(13)12-8(6(9)10,7(14)15)3-2-4-11/h6H,2-4,11H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-acetamido-5-amino-2-(difluoromethyl)pentanoic acid?
2-acetamido-5-amino-2-(difluoromethyl)pentanoic acid has a molecular weight of 224.21 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-amino-2-(difluoromethyl)pentanoic acid is sourced from PubChem (CID 19966338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).