(E)-2-amino-4-[hydroxy(phenylmethoxy)phosphoryl]pent-3-enoic acid

C12H16NO5P — CID 88633321

IUPAC(E)-2-amino-4-[hydroxy(phenylmethoxy)phosphoryl]pent-3-enoic acid
SMILESC/C(=C\C(N)C(=O)O)P(=O)(O)OCc1ccccc1
InChIInChI=1S/C12H16NO5P/c1-9(7-11(13)12(14)15)19(16,17)18-8-10-5-3-2-4-6-10/h2-7,11H,8,13H2,1H3,(H,14,15)(H,16,17)/b9-7+
InChIKeyVQHNZBQASMTQBE-VQHVLOKHSA-N
MW285.24 g/mol
LogP1.70
Rot. Bonds6

About (E)-2-amino-4-[hydroxy(phenylmethoxy)phosphoryl]pent-3-enoic acid

(E)-2-amino-4-[hydroxy(phenylmethoxy)phosphoryl]pent-3-enoic acid (PubChem CID 88633321) has the molecular formula C12H16NO5P and a molecular weight of 285.24 g/mol. Its IUPAC name is (E)-2-amino-4-[hydroxy(phenylmethoxy)phosphoryl]pent-3-enoic acid.

Molecular Properties

Compound Name(E)-2-amino-4-[hydroxy(phenylmethoxy)phosphoryl]pent-3-enoic acid
PubChem CID88633321
Molecular FormulaC12H16NO5P
Molecular Weight285.24 g/mol
Exact Mass285.08
IUPAC Name(E)-2-amino-4-[hydroxy(phenylmethoxy)phosphoryl]pent-3-enoic acid
SMILESC/C(=C\C(N)C(=O)O)P(=O)(O)OCc1ccccc1
InChIInChI=1S/C12H16NO5P/c1-9(7-11(13)12(14)15)19(16,17)18-8-10-5-3-2-4-6-10/h2-7,11H,8,13H2,1H3,(H,14,15)(H,16,17)/b9-7+
InChIKeyVQHNZBQASMTQBE-VQHVLOKHSA-N
XLogP1.70
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[amino(phenylmethoxy)phosphoryl] (2S)-2-aminopropanoate
CID 174953315
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609
1-[methyl(phenylmethoxy)phosphoryl]ethanone
CID 118298808
1-bis(phenylmethoxy)phosphorylpropan-2-one
CID 176899401
dibenzyl hydrogen phosphate;silver
CID 85301331
benzyl 2-acetyl-3-oxobutanoate
CID 15496135
(2S)-2-amino-3-phenylpropanoic acid;phosphoric acid
CID 69256831
3-amino-4-phenylmethoxybutan-2-one
CID 3355727
(1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine
CID 134924285
benzyl tert-butyl hydrogen phosphate
CID 140989025
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-4-[hydroxy(phenylmethoxy)phosphoryl]pent-3-enoic acid?
The IUPAC name of (E)-2-amino-4-[hydroxy(phenylmethoxy)phosphoryl]pent-3-enoic acid (CID 88633321) is (E)-2-amino-4-[hydroxy(phenylmethoxy)phosphoryl]pent-3-enoic acid.
What is the SMILES notation for (E)-2-amino-4-[hydroxy(phenylmethoxy)phosphoryl]pent-3-enoic acid?
The canonical SMILES for (E)-2-amino-4-[hydroxy(phenylmethoxy)phosphoryl]pent-3-enoic acid is C/C(=C\C(N)C(=O)O)P(=O)(O)OCc1ccccc1.
What is the InChIKey of (E)-2-amino-4-[hydroxy(phenylmethoxy)phosphoryl]pent-3-enoic acid?
The InChIKey is VQHNZBQASMTQBE-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H16NO5P/c1-9(7-11(13)12(14)15)19(16,17)18-8-10-5-3-2-4-6-10/h2-7,11H,8,13H2,1H3,(H,14,15)(H,16,17)/b9-7+.
What are the key properties of (E)-2-amino-4-[hydroxy(phenylmethoxy)phosphoryl]pent-3-enoic acid?
(E)-2-amino-4-[hydroxy(phenylmethoxy)phosphoryl]pent-3-enoic acid has a molecular weight of 285.24 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-4-[hydroxy(phenylmethoxy)phosphoryl]pent-3-enoic acid is sourced from PubChem (CID 88633321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).