(2S)-2-amino-4-methylphosphanylbutanoic acid;azane

C5H15N2O2P — CID 175442820

IUPAC(2S)-2-amino-4-methylphosphanylbutanoic acid;azane
SMILESCPCC[C@H](N)C(=O)O.N
InChIInChI=1S/C5H12NO2P.H3N/c1-9-3-2-4(6)5(7)8;/h4,9H,2-3,6H2,1H3,(H,7,8);1H3/t4-;/m0./s1
InChIKeySCCYVUVWYWGOKJ-WCCKRBBISA-N
MW166.16 g/mol
LogP0.26
Rot. Bonds4

About (2S)-2-amino-4-methylphosphanylbutanoic acid;azane

(2S)-2-amino-4-methylphosphanylbutanoic acid;azane (PubChem CID 175442820) has the molecular formula C5H15N2O2P and a molecular weight of 166.16 g/mol. Its IUPAC name is (2S)-2-amino-4-methylphosphanylbutanoic acid;azane.

Molecular Properties

Compound Name(2S)-2-amino-4-methylphosphanylbutanoic acid;azane
PubChem CID175442820
Molecular FormulaC5H15N2O2P
Molecular Weight166.16 g/mol
Exact Mass166.09
IUPAC Name(2S)-2-amino-4-methylphosphanylbutanoic acid;azane
SMILESCPCC[C@H](N)C(=O)O.N
InChIInChI=1S/C5H12NO2P.H3N/c1-9-3-2-4(6)5(7)8;/h4,9H,2-3,6H2,1H3,(H,7,8);1H3/t4-;/m0./s1
InChIKeySCCYVUVWYWGOKJ-WCCKRBBISA-N
XLogP0.26
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-4-methylphosphanylbutanoic acid;azane
CID 16702714
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2R)-2-amino(311C)pentanoic acid
CID 55291456
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
2-methyl-5-methylphosphanylpent-1-en-3-amine
CID 174333077
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
(2R)-2-amino-5-methylhexanoic acid
CID 40537121
2,4-diaminobutanoic acid
CID 158725018
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
(2S)-2-amino-4,4-dideuteriopentanoic acid
CID 158119315
(2S)-2-amino-5-methylhexanoic acid;hydrate
CID 141394996

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylphosphanylbutanoic acid;azane?
The IUPAC name of (2S)-2-amino-4-methylphosphanylbutanoic acid;azane (CID 175442820) is (2S)-2-amino-4-methylphosphanylbutanoic acid;azane.
What is the SMILES notation for (2S)-2-amino-4-methylphosphanylbutanoic acid;azane?
The canonical SMILES for (2S)-2-amino-4-methylphosphanylbutanoic acid;azane is CPCC[C@H](N)C(=O)O.N.
What is the InChIKey of (2S)-2-amino-4-methylphosphanylbutanoic acid;azane?
The InChIKey is SCCYVUVWYWGOKJ-WCCKRBBISA-N. The full InChI is InChI=1S/C5H12NO2P.H3N/c1-9-3-2-4(6)5(7)8;/h4,9H,2-3,6H2,1H3,(H,7,8);1H3/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methylphosphanylbutanoic acid;azane?
(2S)-2-amino-4-methylphosphanylbutanoic acid;azane has a molecular weight of 166.16 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylphosphanylbutanoic acid;azane is sourced from PubChem (CID 175442820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).