5-amino-4-hydroxy-2-methylpentanoyl chloride

C6H12ClNO2 — CID 175367935

IUPAC5-amino-4-hydroxy-2-methylpentanoyl chloride
SMILESCC(CC(O)CN)C(=O)Cl
InChIInChI=1S/C6H12ClNO2/c1-4(6(7)10)2-5(9)3-8/h4-5,9H,2-3,8H2,1H3
InChIKeyYZKKTYZIWLVADO-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.10
Rot. Bonds4

About 5-amino-4-hydroxy-2-methylpentanoyl chloride

5-amino-4-hydroxy-2-methylpentanoyl chloride (PubChem CID 175367935) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 5-amino-4-hydroxy-2-methylpentanoyl chloride.

Molecular Properties

Compound Name5-amino-4-hydroxy-2-methylpentanoyl chloride
PubChem CID175367935
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name5-amino-4-hydroxy-2-methylpentanoyl chloride
SMILESCC(CC(O)CN)C(=O)Cl
InChIInChI=1S/C6H12ClNO2/c1-4(6(7)10)2-5(9)3-8/h4-5,9H,2-3,8H2,1H3
InChIKeyYZKKTYZIWLVADO-UHFFFAOYSA-N
XLogP0.10
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

aminomethyl-dihydroxy-methylphosphanium
CID 6395030
(2S)-2,6-diamino-5-hydroxyhexanoyl chloride
CID 57041399
1-amino-4,6-dimethylheptan-2-ol
CID 146604976
acetic acid;1,3-diaminopropan-2-ol;ethane-1,2-diamine
CID 160667844
(2R)-2-methylpentanoyl chloride
CID 7160703
tetrakis(aminomethyl-dihydroxy-methylphosphanium);manganese;tetrahydrate
CID 6395069
(3S)-4-amino-3-hydroxybutanamide;(3R)-3-hydroxypentanamide
CID 161102604
acetic acid;3-aminopropane-1,2-diol
CID 158327345
1-aminobutan-2-ol;3-aminobutan-2-ol
CID 159145044
CID 175729762
CID 175729762
tert-butyl 6-amino-3,5-dihydroxyhexanoate
CID 87112903
3-chlorosulfinyl-2-methylpropanoyl chloride
CID 12642379

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-hydroxy-2-methylpentanoyl chloride?
The IUPAC name of 5-amino-4-hydroxy-2-methylpentanoyl chloride (CID 175367935) is 5-amino-4-hydroxy-2-methylpentanoyl chloride.
What is the SMILES notation for 5-amino-4-hydroxy-2-methylpentanoyl chloride?
The canonical SMILES for 5-amino-4-hydroxy-2-methylpentanoyl chloride is CC(CC(O)CN)C(=O)Cl.
What is the InChIKey of 5-amino-4-hydroxy-2-methylpentanoyl chloride?
The InChIKey is YZKKTYZIWLVADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2/c1-4(6(7)10)2-5(9)3-8/h4-5,9H,2-3,8H2,1H3.
What are the key properties of 5-amino-4-hydroxy-2-methylpentanoyl chloride?
5-amino-4-hydroxy-2-methylpentanoyl chloride has a molecular weight of 165.62 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-hydroxy-2-methylpentanoyl chloride is sourced from PubChem (CID 175367935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).