(2R,4S)-2,4-diamino-5,5,5-trifluoropentanoic acid

C5H9F3N2O2 — CID 95241054

IUPAC(2R,4S)-2,4-diamino-5,5,5-trifluoropentanoic acid
SMILESN[C@H](C[C@H](N)C(F)(F)F)C(=O)O
InChIInChI=1S/C5H9F3N2O2/c6-5(7,8)3(10)1-2(9)4(11)12/h2-3H,1,9-10H2,(H,11,12)/t2-,3+/m1/s1
InChIKeyGJBVYFRBJYKMTO-GBXIJSLDSA-N
MW186.13 g/mol
LogP-0.32
Rot. Bonds3

About (2R,4S)-2,4-diamino-5,5,5-trifluoropentanoic acid

(2R,4S)-2,4-diamino-5,5,5-trifluoropentanoic acid (PubChem CID 95241054) has the molecular formula C5H9F3N2O2 and a molecular weight of 186.13 g/mol. Its IUPAC name is (2R,4S)-2,4-diamino-5,5,5-trifluoropentanoic acid.

Molecular Properties

Compound Name(2R,4S)-2,4-diamino-5,5,5-trifluoropentanoic acid
PubChem CID95241054
Molecular FormulaC5H9F3N2O2
Molecular Weight186.13 g/mol
Exact Mass186.06
IUPAC Name(2R,4S)-2,4-diamino-5,5,5-trifluoropentanoic acid
SMILESN[C@H](C[C@H](N)C(F)(F)F)C(=O)O
InChIInChI=1S/C5H9F3N2O2/c6-5(7,8)3(10)1-2(9)4(11)12/h2-3H,1,9-10H2,(H,11,12)/t2-,3+/m1/s1
InChIKeyGJBVYFRBJYKMTO-GBXIJSLDSA-N
XLogP-0.32
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 39869181
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CID 43810878
(2S)-2-amino-4-(2,2,2-trifluoroethyl)pentanedioic acid
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2,4,6-triaminoheptanedioic acid
CID 71362819
(2S)-2-amino-4,4-difluorobutanoic acid;hydrochloride
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(2R,4R)-2-amino-4-fluoropentanoic acid
CID 55283897
(2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid
CID 46207589
(2S)-2-amino-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoic acid
CID 129061051
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
(2R)-2-amino-4-hydroxypentanedioic acid
CID 59133640
(2S)-2-amino-4-(114C)methyl(514C)pentanoic acid
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CID 87214948

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2,4-diamino-5,5,5-trifluoropentanoic acid?
The IUPAC name of (2R,4S)-2,4-diamino-5,5,5-trifluoropentanoic acid (CID 95241054) is (2R,4S)-2,4-diamino-5,5,5-trifluoropentanoic acid.
What is the SMILES notation for (2R,4S)-2,4-diamino-5,5,5-trifluoropentanoic acid?
The canonical SMILES for (2R,4S)-2,4-diamino-5,5,5-trifluoropentanoic acid is N[C@H](C[C@H](N)C(F)(F)F)C(=O)O.
What is the InChIKey of (2R,4S)-2,4-diamino-5,5,5-trifluoropentanoic acid?
The InChIKey is GJBVYFRBJYKMTO-GBXIJSLDSA-N. The full InChI is InChI=1S/C5H9F3N2O2/c6-5(7,8)3(10)1-2(9)4(11)12/h2-3H,1,9-10H2,(H,11,12)/t2-,3+/m1/s1.
What are the key properties of (2R,4S)-2,4-diamino-5,5,5-trifluoropentanoic acid?
(2R,4S)-2,4-diamino-5,5,5-trifluoropentanoic acid has a molecular weight of 186.13 g/mol, XLogP of -0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2,4-diamino-5,5,5-trifluoropentanoic acid is sourced from PubChem (CID 95241054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).