2-amino-2-[2-[hydroxy(methyl)phosphoryl]ethyl]pent-4-enoic acid

C8H16NO4P — CID 88769968

IUPAC2-amino-2-[2-[hydroxy(methyl)phosphoryl]ethyl]pent-4-enoic acid
SMILESC=CCC(N)(CCP(C)(=O)O)C(=O)O
InChIInChI=1S/C8H16NO4P/c1-3-4-8(9,7(10)11)5-6-14(2,12)13/h3H,1,4-6,9H2,2H3,(H,10,11)(H,12,13)
InChIKeyHMHZVPDDEIKKJT-UHFFFAOYSA-N
MW221.19 g/mol
LogP0.63
Rot. Bonds6

About 2-amino-2-[2-[hydroxy(methyl)phosphoryl]ethyl]pent-4-enoic acid

2-amino-2-[2-[hydroxy(methyl)phosphoryl]ethyl]pent-4-enoic acid (PubChem CID 88769968) has the molecular formula C8H16NO4P and a molecular weight of 221.19 g/mol. Its IUPAC name is 2-amino-2-[2-[hydroxy(methyl)phosphoryl]ethyl]pent-4-enoic acid.

Molecular Properties

Compound Name2-amino-2-[2-[hydroxy(methyl)phosphoryl]ethyl]pent-4-enoic acid
PubChem CID88769968
Molecular FormulaC8H16NO4P
Molecular Weight221.19 g/mol
Exact Mass221.08
IUPAC Name2-amino-2-[2-[hydroxy(methyl)phosphoryl]ethyl]pent-4-enoic acid
SMILESC=CCC(N)(CCP(C)(=O)O)C(=O)O
InChIInChI=1S/C8H16NO4P/c1-3-4-8(9,7(10)11)5-6-14(2,12)13/h3H,1,4-6,9H2,2H3,(H,10,11)(H,12,13)
InChIKeyHMHZVPDDEIKKJT-UHFFFAOYSA-N
XLogP0.63
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 50.63
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[hydroxy(methyl)phosphoryl]ethyl]pent-4-enoic acid?
The IUPAC name of 2-amino-2-[2-[hydroxy(methyl)phosphoryl]ethyl]pent-4-enoic acid (CID 88769968) is 2-amino-2-[2-[hydroxy(methyl)phosphoryl]ethyl]pent-4-enoic acid.
What is the SMILES notation for 2-amino-2-[2-[hydroxy(methyl)phosphoryl]ethyl]pent-4-enoic acid?
The canonical SMILES for 2-amino-2-[2-[hydroxy(methyl)phosphoryl]ethyl]pent-4-enoic acid is C=CCC(N)(CCP(C)(=O)O)C(=O)O.
What is the InChIKey of 2-amino-2-[2-[hydroxy(methyl)phosphoryl]ethyl]pent-4-enoic acid?
The InChIKey is HMHZVPDDEIKKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO4P/c1-3-4-8(9,7(10)11)5-6-14(2,12)13/h3H,1,4-6,9H2,2H3,(H,10,11)(H,12,13).
What are the key properties of 2-amino-2-[2-[hydroxy(methyl)phosphoryl]ethyl]pent-4-enoic acid?
2-amino-2-[2-[hydroxy(methyl)phosphoryl]ethyl]pent-4-enoic acid has a molecular weight of 221.19 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[hydroxy(methyl)phosphoryl]ethyl]pent-4-enoic acid is sourced from PubChem (CID 88769968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).