(2S)-2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid

C7H14NO5P — CID 14647097

IUPAC(2S)-2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid
SMILESCC(=O)N[C@@H](CCP(C)(=O)O)C(=O)O
InChIInChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)/t6-/m0/s1
InChIKeyVZVQOWUYAAWBCP-LURJTMIESA-N
MW223.16 g/mol
LogP-0.13
Rot. Bonds5

About (2S)-2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid

(2S)-2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid (PubChem CID 14647097) has the molecular formula C7H14NO5P and a molecular weight of 223.16 g/mol. Its IUPAC name is (2S)-2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid.

Molecular Properties

Compound Name(2S)-2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid
PubChem CID14647097
Molecular FormulaC7H14NO5P
Molecular Weight223.16 g/mol
Exact Mass223.06
IUPAC Name(2S)-2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid
SMILESCC(=O)N[C@@H](CCP(C)(=O)O)C(=O)O
InChIInChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)/t6-/m0/s1
InChIKeyVZVQOWUYAAWBCP-LURJTMIESA-N
XLogP-0.13
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.16
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid?
The IUPAC name of (2S)-2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid (CID 14647097) is (2S)-2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid.
What is the SMILES notation for (2S)-2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid?
The canonical SMILES for (2S)-2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid is CC(=O)N[C@@H](CCP(C)(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid?
The InChIKey is VZVQOWUYAAWBCP-LURJTMIESA-N. The full InChI is InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid?
(2S)-2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid has a molecular weight of 223.16 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid is sourced from PubChem (CID 14647097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).