2,5-diamino-3,3,4-trideuterio-2-(difluoromethyl)pentanoic acid

C6H12F2N2O2 — CID 131674234

IUPAC2,5-diamino-3,3,4-trideuterio-2-(difluoromethyl)pentanoic acid
SMILES[2H]C(CN)C([2H])([2H])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)/i1D,2D2
InChIKeyVLCYCQAOQCDTCN-APAIHEESSA-N
MW185.19 g/mol
LogP-0.23
Rot. Bonds5

About 2,5-diamino-3,3,4-trideuterio-2-(difluoromethyl)pentanoic acid

2,5-diamino-3,3,4-trideuterio-2-(difluoromethyl)pentanoic acid (PubChem CID 131674234) has the molecular formula C6H12F2N2O2 and a molecular weight of 185.19 g/mol. Its IUPAC name is 2,5-diamino-3,3,4-trideuterio-2-(difluoromethyl)pentanoic acid.

Molecular Properties

Compound Name2,5-diamino-3,3,4-trideuterio-2-(difluoromethyl)pentanoic acid
PubChem CID131674234
Molecular FormulaC6H12F2N2O2
Molecular Weight185.19 g/mol
Exact Mass185.11
IUPAC Name2,5-diamino-3,3,4-trideuterio-2-(difluoromethyl)pentanoic acid
SMILES[2H]C(CN)C([2H])([2H])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)/i1D,2D2
InChIKeyVLCYCQAOQCDTCN-APAIHEESSA-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 ≤ 500185.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-diamino-2-(difluoromethyl)pentanoic acid
CID 3009
(2R)-2-amino-2-(difluoromethyl)pentanedioic acid
CID 175133847
2,5-diamino-2-[chloro(fluoro)methyl]pentanoic acid
CID 18177515
(E)-2,6-diamino-2-(difluoromethyl)-5-methylhex-4-enoic acid
CID 88706843
2,6-diamino-2-(difluoromethyl)-3-oxohexanoic acid
CID 88691953
(2S)-2-amino-2-(2-fluoroethyl)-3-methylbutanoic acid
CID 125427224
2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid
CID 88704718
ethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 87485820
2,6-diamino-2-(difluoromethyl)-3-methylhexanoic acid;dihydrochloride
CID 88704717
(2S)-4-amino-2-fluorobutanoic acid
CID 7016346
methyl 2,6-diamino-2-(difluoromethyl)hexanoate
CID 13315051
2-amino-5-[6-[(4-amino-4-carboxy-5,5-difluoropentyl)carbamoyloxy]hexoxycarbonylamino]-2-(difluoromethyl)pentanoic acid
CID 11261139

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-3,3,4-trideuterio-2-(difluoromethyl)pentanoic acid?
The IUPAC name of 2,5-diamino-3,3,4-trideuterio-2-(difluoromethyl)pentanoic acid (CID 131674234) is 2,5-diamino-3,3,4-trideuterio-2-(difluoromethyl)pentanoic acid.
What is the SMILES notation for 2,5-diamino-3,3,4-trideuterio-2-(difluoromethyl)pentanoic acid?
The canonical SMILES for 2,5-diamino-3,3,4-trideuterio-2-(difluoromethyl)pentanoic acid is [2H]C(CN)C([2H])([2H])C(N)(C(=O)O)C(F)F.
What is the InChIKey of 2,5-diamino-3,3,4-trideuterio-2-(difluoromethyl)pentanoic acid?
The InChIKey is VLCYCQAOQCDTCN-APAIHEESSA-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)/i1D,2D2.
What are the key properties of 2,5-diamino-3,3,4-trideuterio-2-(difluoromethyl)pentanoic acid?
2,5-diamino-3,3,4-trideuterio-2-(difluoromethyl)pentanoic acid has a molecular weight of 185.19 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 2,5-diamino-3,3,4-trideuterio-2-(difluoromethyl)pentanoic acid is sourced from PubChem (CID 131674234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).