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

C6H16N2O2 — CID 77105060

IUPACazanium (2S,3S)-2-amino-3-methylpentanoate
SMILESCC[C@H](C)[C@H](N)C(=O)[O-].[NH4+]
InChIInChI=1S/C6H13NO2.H3N/c1-3-4(2)5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);1H3/t4-,5-;/m0./s1
InChIKeyUYMUGGIDPCSHCQ-FHAQVOQBSA-N
MW148.21 g/mol
LogP-0.51
Rot. Bonds3

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

azanium (2S,3S)-2-amino-3-methylpentanoate (PubChem CID 77105060) has the molecular formula C6H16N2O2 and a molecular weight of 148.21 g/mol. Its IUPAC name is azanium (2S,3S)-2-amino-3-methylpentanoate.

Molecular Properties

Compound Nameazanium (2S,3S)-2-amino-3-methylpentanoate
PubChem CID77105060
Molecular FormulaC6H16N2O2
Molecular Weight148.21 g/mol
Exact Mass148.12
IUPAC Nameazanium (2S,3S)-2-amino-3-methylpentanoate
SMILESCC[C@H](C)[C@H](N)C(=O)[O-].[NH4+]
InChIInChI=1S/C6H13NO2.H3N/c1-3-4(2)5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);1H3/t4-,5-;/m0./s1
InChIKeyUYMUGGIDPCSHCQ-FHAQVOQBSA-N
XLogP-0.51
TPSA102.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

copper;bis((2S,3S)-2-amino-3-methylpentanoate);hydrate
CID 139146135
(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,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
2-amino-3-methylpentanoic acid;azane
CID 87185080
2-amino-3-methylpentanoic acid;manganese
CID 175109832
(3S)-2-amino-3-methylpentanamide;sulfane
CID 159517895
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
(5R)-4-amino-2,5-dimethylheptan-3-one
CID 59877270
chloro (2S,3S)-2-amino-3-methylpentanoate
CID 87588492

Frequently Asked Questions

What is the IUPAC name of azanium (2S,3S)-2-amino-3-methylpentanoate?
The IUPAC name of azanium (2S,3S)-2-amino-3-methylpentanoate (CID 77105060) is azanium (2S,3S)-2-amino-3-methylpentanoate.
What is the SMILES notation for azanium (2S,3S)-2-amino-3-methylpentanoate?
The canonical SMILES for azanium (2S,3S)-2-amino-3-methylpentanoate is CC[C@H](C)[C@H](N)C(=O)[O-].[NH4+].
What is the InChIKey of azanium (2S,3S)-2-amino-3-methylpentanoate?
The InChIKey is UYMUGGIDPCSHCQ-FHAQVOQBSA-N. The full InChI is InChI=1S/C6H13NO2.H3N/c1-3-4(2)5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);1H3/t4-,5-;/m0./s1.
What are the key properties of azanium (2S,3S)-2-amino-3-methylpentanoate?
azanium (2S,3S)-2-amino-3-methylpentanoate has a molecular weight of 148.21 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium (2S,3S)-2-amino-3-methylpentanoate is sourced from PubChem (CID 77105060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).