(2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxypropanoic acid

C5H12NO5P — CID 57391945

IUPAC(2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxypropanoic acid
SMILESC[C@H](N)P(=O)(O)O[C@H](C)C(=O)O
InChIInChI=1S/C5H12NO5P/c1-3(5(7)8)11-12(9,10)4(2)6/h3-4H,6H2,1-2H3,(H,7,8)(H,9,10)/t3-,4-/m1/s1
InChIKeyBLUPFHGGHIYXQP-QWWZWVQMSA-N
MW197.13 g/mol
LogP-0.03
Rot. Bonds4

About (2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxypropanoic acid

(2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxypropanoic acid (PubChem CID 57391945) has the molecular formula C5H12NO5P and a molecular weight of 197.13 g/mol. Its IUPAC name is (2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxypropanoic acid
PubChem CID57391945
Molecular FormulaC5H12NO5P
Molecular Weight197.13 g/mol
Exact Mass197.05
IUPAC Name(2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxypropanoic acid
SMILESC[C@H](N)P(=O)(O)O[C@H](C)C(=O)O
InChIInChI=1S/C5H12NO5P/c1-3(5(7)8)11-12(9,10)4(2)6/h3-4H,6H2,1-2H3,(H,7,8)(H,9,10)/t3-,4-/m1/s1
InChIKeyBLUPFHGGHIYXQP-QWWZWVQMSA-N
XLogP-0.03
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.13
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxypropanoic acid?
The IUPAC name of (2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxypropanoic acid (CID 57391945) is (2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxypropanoic acid.
What is the SMILES notation for (2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxypropanoic acid?
The canonical SMILES for (2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxypropanoic acid is C[C@H](N)P(=O)(O)O[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxypropanoic acid?
The InChIKey is BLUPFHGGHIYXQP-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H12NO5P/c1-3(5(7)8)11-12(9,10)4(2)6/h3-4H,6H2,1-2H3,(H,7,8)(H,9,10)/t3-,4-/m1/s1.
What are the key properties of (2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxypropanoic acid?
(2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxypropanoic acid has a molecular weight of 197.13 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-1-aminoethyl]-hydroxyphosphoryl]oxypropanoic acid is sourced from PubChem (CID 57391945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).