(E)-2-amino-4-methyl-5-phosphanylpent-3-enoic acid

C6H12NO2P — CID 88508917

IUPAC(E)-2-amino-4-methyl-5-phosphanylpent-3-enoic acid
SMILESC/C(=C\C(N)C(=O)O)CP
InChIInChI=1S/C6H12NO2P/c1-4(3-10)2-5(7)6(8)9/h2,5H,3,7,10H2,1H3,(H,8,9)/b4-2+
InChIKeyJOVQDWASQDPUKS-DUXPYHPUSA-N
MW161.14 g/mol
LogP0.22
Rot. Bonds3

About (E)-2-amino-4-methyl-5-phosphanylpent-3-enoic acid

(E)-2-amino-4-methyl-5-phosphanylpent-3-enoic acid (PubChem CID 88508917) has the molecular formula C6H12NO2P and a molecular weight of 161.14 g/mol. Its IUPAC name is (E)-2-amino-4-methyl-5-phosphanylpent-3-enoic acid.

Molecular Properties

Compound Name(E)-2-amino-4-methyl-5-phosphanylpent-3-enoic acid
PubChem CID88508917
Molecular FormulaC6H12NO2P
Molecular Weight161.14 g/mol
Exact Mass161.06
IUPAC Name(E)-2-amino-4-methyl-5-phosphanylpent-3-enoic acid
SMILESC/C(=C\C(N)C(=O)O)CP
InChIInChI=1S/C6H12NO2P/c1-4(3-10)2-5(7)6(8)9/h2,5H,3,7,10H2,1H3,(H,8,9)/b4-2+
InChIKeyJOVQDWASQDPUKS-DUXPYHPUSA-N
XLogP0.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.14
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-4-methyl-5-phosphanylpent-3-enoate
CID 175336556
(E,2R)-2-amino-4-methyl-7-phosphonohept-3-enoic acid
CID 88509040
(Z)-2-amino-7-(1-aminoethylideneamino)-4-methylhept-3-enoic acid;dihydrochloride
CID 162334607
(E,2R)-2-amino-4-fluoro-5-phosphonopent-3-enoic acid
CID 18647022
(2S)-2-amino-4-methylhex-4-enoic acid
CID 70268414
2-amino-3-sulfonylpropanoic acid
CID 22381085
2-amino-4-methyl-5-phosphononon-3-enoic acid
CID 175126578
acetic acid;2,2-diaminoacetic acid
CID 129094898
(2R)-2-amino-4-(phosphonomethyl)hept-3-enoic acid
CID 171319241
(E)-2-amino-4-(2-methylbutylideneamino)hex-3-enoic acid
CID 91443581
2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid
CID 21345005
2-amino-3-[(2S)-2-amino-3-oxobutyl]sulfanylpropanoic acid
CID 59034309

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-4-methyl-5-phosphanylpent-3-enoic acid?
The IUPAC name of (E)-2-amino-4-methyl-5-phosphanylpent-3-enoic acid (CID 88508917) is (E)-2-amino-4-methyl-5-phosphanylpent-3-enoic acid.
What is the SMILES notation for (E)-2-amino-4-methyl-5-phosphanylpent-3-enoic acid?
The canonical SMILES for (E)-2-amino-4-methyl-5-phosphanylpent-3-enoic acid is C/C(=C\C(N)C(=O)O)CP.
What is the InChIKey of (E)-2-amino-4-methyl-5-phosphanylpent-3-enoic acid?
The InChIKey is JOVQDWASQDPUKS-DUXPYHPUSA-N. The full InChI is InChI=1S/C6H12NO2P/c1-4(3-10)2-5(7)6(8)9/h2,5H,3,7,10H2,1H3,(H,8,9)/b4-2+.
What are the key properties of (E)-2-amino-4-methyl-5-phosphanylpent-3-enoic acid?
(E)-2-amino-4-methyl-5-phosphanylpent-3-enoic acid has a molecular weight of 161.14 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-4-methyl-5-phosphanylpent-3-enoic acid is sourced from PubChem (CID 88508917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).