(2R)-2-amino-5,5,5-trichloropentanoic acid

C5H8Cl3NO2 — CID 118546374

IUPAC(2R)-2-amino-5,5,5-trichloropentanoic acid
SMILESN[C@H](CCC(Cl)(Cl)Cl)C(=O)O
InChIInChI=1S/C5H8Cl3NO2/c6-5(7,8)2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)/t3-/m1/s1
InChIKeyIAJLDUVGPFXGJU-GSVOUGTGSA-N
MW220.48 g/mol
LogP1.55
Rot. Bonds3

About (2R)-2-amino-5,5,5-trichloropentanoic acid

(2R)-2-amino-5,5,5-trichloropentanoic acid (PubChem CID 118546374) has the molecular formula C5H8Cl3NO2 and a molecular weight of 220.48 g/mol. Its IUPAC name is (2R)-2-amino-5,5,5-trichloropentanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-5,5,5-trichloropentanoic acid
PubChem CID118546374
Molecular FormulaC5H8Cl3NO2
Molecular Weight220.48 g/mol
Exact Mass218.96
IUPAC Name(2R)-2-amino-5,5,5-trichloropentanoic acid
SMILESN[C@H](CCC(Cl)(Cl)Cl)C(=O)O
InChIInChI=1S/C5H8Cl3NO2/c6-5(7,8)2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)/t3-/m1/s1
InChIKeyIAJLDUVGPFXGJU-GSVOUGTGSA-N
XLogP1.55
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.48
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2,5,5-triaminohexanoic acid
CID 178040033
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
(2S)-2-amino-4-chlorobutanoic acid;hydrochloride
CID 87716016
2,4-diaminobutanoic acid
CID 158725018
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2-amino-5,5-dibromo-5-phosphonopentanoic acid
CID 87518373
2-amino-5,5-difluoroheptanoic acid;hydrochloride
CID 87211692
(2R)-2-amino-6-hydroxyhexanoic acid
CID 5288041
(2S)-2-aminopentanedioic acid;2-oxopropanoic acid;tetrachloromethane
CID 160888062
2-amino-4-sulfanylbutanoic acid
CID 778

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-5,5,5-trichloropentanoic acid?
The IUPAC name of (2R)-2-amino-5,5,5-trichloropentanoic acid (CID 118546374) is (2R)-2-amino-5,5,5-trichloropentanoic acid.
What is the SMILES notation for (2R)-2-amino-5,5,5-trichloropentanoic acid?
The canonical SMILES for (2R)-2-amino-5,5,5-trichloropentanoic acid is N[C@H](CCC(Cl)(Cl)Cl)C(=O)O.
What is the InChIKey of (2R)-2-amino-5,5,5-trichloropentanoic acid?
The InChIKey is IAJLDUVGPFXGJU-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H8Cl3NO2/c6-5(7,8)2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)/t3-/m1/s1.
What are the key properties of (2R)-2-amino-5,5,5-trichloropentanoic acid?
(2R)-2-amino-5,5,5-trichloropentanoic acid has a molecular weight of 220.48 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-5,5,5-trichloropentanoic acid is sourced from PubChem (CID 118546374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).