(2S)-2,5-diamino-2-(difluoromethyl)pentanoic acid

C6H12F2N2O2 — CID 6992039

IUPAC(2S)-2,5-diamino-2-(difluoromethyl)pentanoic acid
SMILESNCCC[C@](N)(C(=O)O)C(F)F
InChIInChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)/t6-/m1/s1
InChIKeyVLCYCQAOQCDTCN-ZCFIWIBFSA-N
MW182.17 g/mol
LogP-0.23
Rot. Bonds5

About (2S)-2,5-diamino-2-(difluoromethyl)pentanoic acid

(2S)-2,5-diamino-2-(difluoromethyl)pentanoic acid (PubChem CID 6992039) has the molecular formula C6H12F2N2O2 and a molecular weight of 182.17 g/mol. Its IUPAC name is (2S)-2,5-diamino-2-(difluoromethyl)pentanoic acid.

Molecular Properties

Compound Name(2S)-2,5-diamino-2-(difluoromethyl)pentanoic acid
PubChem CID6992039
Molecular FormulaC6H12F2N2O2
Molecular Weight182.17 g/mol
Exact Mass182.09
IUPAC Name(2S)-2,5-diamino-2-(difluoromethyl)pentanoic acid
SMILESNCCC[C@](N)(C(=O)O)C(F)F
InChIInChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)/t6-/m1/s1
InChIKeyVLCYCQAOQCDTCN-ZCFIWIBFSA-N
XLogP-0.23
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diamino-2-(difluoromethyl)pentanoic acid?
The IUPAC name of (2S)-2,5-diamino-2-(difluoromethyl)pentanoic acid (CID 6992039) is (2S)-2,5-diamino-2-(difluoromethyl)pentanoic acid.
What is the SMILES notation for (2S)-2,5-diamino-2-(difluoromethyl)pentanoic acid?
The canonical SMILES for (2S)-2,5-diamino-2-(difluoromethyl)pentanoic acid is NCCC[C@](N)(C(=O)O)C(F)F.
What is the InChIKey of (2S)-2,5-diamino-2-(difluoromethyl)pentanoic acid?
The InChIKey is VLCYCQAOQCDTCN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)/t6-/m1/s1.
What are the key properties of (2S)-2,5-diamino-2-(difluoromethyl)pentanoic acid?
(2S)-2,5-diamino-2-(difluoromethyl)pentanoic acid has a molecular weight of 182.17 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diamino-2-(difluoromethyl)pentanoic acid is sourced from PubChem (CID 6992039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).