methyl 2-amino-4-methyl-5-phosphanylpent-3-enoate

C7H14NO2P — CID 175336556

IUPACmethyl 2-amino-4-methyl-5-phosphanylpent-3-enoate
SMILESCOC(=O)C(N)C=C(C)CP
InChIInChI=1S/C7H14NO2P/c1-5(4-11)3-6(8)7(9)10-2/h3,6H,4,8,11H2,1-2H3
InChIKeyNACBDAMEMVLMFX-UHFFFAOYSA-N
MW175.17 g/mol
LogP0.31
Rot. Bonds3

About methyl 2-amino-4-methyl-5-phosphanylpent-3-enoate

methyl 2-amino-4-methyl-5-phosphanylpent-3-enoate (PubChem CID 175336556) has the molecular formula C7H14NO2P and a molecular weight of 175.17 g/mol. Its IUPAC name is methyl 2-amino-4-methyl-5-phosphanylpent-3-enoate.

Molecular Properties

Compound Namemethyl 2-amino-4-methyl-5-phosphanylpent-3-enoate
PubChem CID175336556
Molecular FormulaC7H14NO2P
Molecular Weight175.17 g/mol
Exact Mass175.08
IUPAC Namemethyl 2-amino-4-methyl-5-phosphanylpent-3-enoate
SMILESCOC(=O)C(N)C=C(C)CP
InChIInChI=1S/C7H14NO2P/c1-5(4-11)3-6(8)7(9)10-2/h3,6H,4,8,11H2,1-2H3
InChIKeyNACBDAMEMVLMFX-UHFFFAOYSA-N
XLogP0.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.17
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-amino-4-methyl-5-phosphanylpent-3-enoic acid
CID 88508917
methyl (Z)-2-amino-4-(methylamino)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoate
CID 144982660
methyl 2-methoxy-2-[(2-phosphanylacetyl)amino]acetate
CID 58732076
dimethyl 2-[(E)-2-methylbut-2-enyl]propanedioate
CID 12754391
ethyl (E)-3-methyl-4-phosphanylbut-2-enoate
CID 88969909
acetic acid;methyl 2,2-diaminoacetate
CID 175261115
methyl (2S)-2-amino-3-oxobutanoate
CID 20728075
dimethyl 2-[(E)-4-oxopent-2-enyl]propanedioate
CID 44632245
methyl 2-deuterio-3-deuteriooxy-2-(dideuterioamino)propanoate
CID 132579014
methyl 2-aminopropanoate
CID 159707893
methyl (2S)-2-amino-3-hydroxypropanoate
CID 2723731
dimethyl 2,4-bis(sulfanyl)pentanedioate
CID 59141618

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-methyl-5-phosphanylpent-3-enoate?
The IUPAC name of methyl 2-amino-4-methyl-5-phosphanylpent-3-enoate (CID 175336556) is methyl 2-amino-4-methyl-5-phosphanylpent-3-enoate.
What is the SMILES notation for methyl 2-amino-4-methyl-5-phosphanylpent-3-enoate?
The canonical SMILES for methyl 2-amino-4-methyl-5-phosphanylpent-3-enoate is COC(=O)C(N)C=C(C)CP.
What is the InChIKey of methyl 2-amino-4-methyl-5-phosphanylpent-3-enoate?
The InChIKey is NACBDAMEMVLMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO2P/c1-5(4-11)3-6(8)7(9)10-2/h3,6H,4,8,11H2,1-2H3.
What are the key properties of methyl 2-amino-4-methyl-5-phosphanylpent-3-enoate?
methyl 2-amino-4-methyl-5-phosphanylpent-3-enoate has a molecular weight of 175.17 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-methyl-5-phosphanylpent-3-enoate is sourced from PubChem (CID 175336556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).