chloro (2S,3S)-2-amino-3-methylpentanoate

C6H12ClNO2 — CID 87588492

IUPACchloro (2S,3S)-2-amino-3-methylpentanoate
SMILESCC[C@H](C)[C@H](N)C(=O)OCl
InChIInChI=1S/C6H12ClNO2/c1-3-4(2)5(8)6(9)10-7/h4-5H,3,8H2,1-2H3/t4-,5-/m0/s1
InChIKeyQABNQWJUENNGIX-WHFBIAKZSA-N
MW165.62 g/mol
LogP1.06
Rot. Bonds3

About chloro (2S,3S)-2-amino-3-methylpentanoate

chloro (2S,3S)-2-amino-3-methylpentanoate (PubChem CID 87588492) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is chloro (2S,3S)-2-amino-3-methylpentanoate.

Molecular Properties

Compound Namechloro (2S,3S)-2-amino-3-methylpentanoate
PubChem CID87588492
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Namechloro (2S,3S)-2-amino-3-methylpentanoate
SMILESCC[C@H](C)[C@H](N)C(=O)OCl
InChIInChI=1S/C6H12ClNO2/c1-3-4(2)5(8)6(9)10-7/h4-5H,3,8H2,1-2H3/t4-,5-/m0/s1
InChIKeyQABNQWJUENNGIX-WHFBIAKZSA-N
XLogP1.06
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride
CID 169227139
(2S)-2-amino-3-methylpentanamide
CID 10290817
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
[(2S)-2-aminopropanoyl] (2S,3S)-2-amino-3-methylpentanoate
CID 57005040
butan-2-yl 2-amino-3-methylpentanoate
CID 60903336
(5R)-4-amino-2,5-dimethylheptan-3-one
CID 59877270
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
(3S)-2-amino-3-methylpentanamide;sulfane
CID 159517895
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
2-amino-3-methylpentanoic acid;azane
CID 87185080
2-amino-3-methylpentanoic acid;manganese
CID 175109832

Frequently Asked Questions

What is the IUPAC name of chloro (2S,3S)-2-amino-3-methylpentanoate?
The IUPAC name of chloro (2S,3S)-2-amino-3-methylpentanoate (CID 87588492) is chloro (2S,3S)-2-amino-3-methylpentanoate.
What is the SMILES notation for chloro (2S,3S)-2-amino-3-methylpentanoate?
The canonical SMILES for chloro (2S,3S)-2-amino-3-methylpentanoate is CC[C@H](C)[C@H](N)C(=O)OCl.
What is the InChIKey of chloro (2S,3S)-2-amino-3-methylpentanoate?
The InChIKey is QABNQWJUENNGIX-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H12ClNO2/c1-3-4(2)5(8)6(9)10-7/h4-5H,3,8H2,1-2H3/t4-,5-/m0/s1.
What are the key properties of chloro (2S,3S)-2-amino-3-methylpentanoate?
chloro (2S,3S)-2-amino-3-methylpentanoate has a molecular weight of 165.62 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro (2S,3S)-2-amino-3-methylpentanoate is sourced from PubChem (CID 87588492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).