methyl 4-amino-2-methyl-4-phosphanylbutanoate

C6H14NO2P — CID 134574134

IUPACmethyl 4-amino-2-methyl-4-phosphanylbutanoate
SMILESCOC(=O)C(C)CC(N)P
InChIInChI=1S/C6H14NO2P/c1-4(3-5(7)10)6(8)9-2/h4-5H,3,7,10H2,1-2H3
InChIKeyWQUMCPSJBKKUFJ-UHFFFAOYSA-N
MW163.16 g/mol
LogP0.35
Rot. Bonds3

About methyl 4-amino-2-methyl-4-phosphanylbutanoate

methyl 4-amino-2-methyl-4-phosphanylbutanoate (PubChem CID 134574134) has the molecular formula C6H14NO2P and a molecular weight of 163.16 g/mol. Its IUPAC name is methyl 4-amino-2-methyl-4-phosphanylbutanoate.

Molecular Properties

Compound Namemethyl 4-amino-2-methyl-4-phosphanylbutanoate
PubChem CID134574134
Molecular FormulaC6H14NO2P
Molecular Weight163.16 g/mol
Exact Mass163.08
IUPAC Namemethyl 4-amino-2-methyl-4-phosphanylbutanoate
SMILESCOC(=O)C(C)CC(N)P
InChIInChI=1S/C6H14NO2P/c1-4(3-5(7)10)6(8)9-2/h4-5H,3,7,10H2,1-2H3
InChIKeyWQUMCPSJBKKUFJ-UHFFFAOYSA-N
XLogP0.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.16
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-4-amino-2-methylpentanoate
CID 88911479
CID 58391087
CID 58391087
methyl 6-hydroxy-2,4-dimethylheptanoate
CID 85176475
methyl 2-methyl-4-(propan-2-ylamino)pentanoate
CID 104646065
dimethyl (2R,4S)-2-ethyl-4-methylpentanedioate
CID 101071261
methyl (2S)-2,4,4-trimethylpentanoate
CID 87851935
(2S,4R)-2-amino-4-(3-methoxy-2-methyl-3-oxopropyl)pentanedioic acid
CID 135735782
[(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium
CID 51704146
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
methyl 2-methyl-4-(2-methylpropylamino)pentanoate
CID 104645979
methyl (2R)-4-hydroxy-2-methylheptanoate
CID 174362500
methyl 4-methoxy-2,4-dimethylpentanoate
CID 22982800

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-methyl-4-phosphanylbutanoate?
The IUPAC name of methyl 4-amino-2-methyl-4-phosphanylbutanoate (CID 134574134) is methyl 4-amino-2-methyl-4-phosphanylbutanoate.
What is the SMILES notation for methyl 4-amino-2-methyl-4-phosphanylbutanoate?
The canonical SMILES for methyl 4-amino-2-methyl-4-phosphanylbutanoate is COC(=O)C(C)CC(N)P.
What is the InChIKey of methyl 4-amino-2-methyl-4-phosphanylbutanoate?
The InChIKey is WQUMCPSJBKKUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO2P/c1-4(3-5(7)10)6(8)9-2/h4-5H,3,7,10H2,1-2H3.
What are the key properties of methyl 4-amino-2-methyl-4-phosphanylbutanoate?
methyl 4-amino-2-methyl-4-phosphanylbutanoate has a molecular weight of 163.16 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-methyl-4-phosphanylbutanoate is sourced from PubChem (CID 134574134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).