(2R)-2-amino-4-(hydroxymethylphosphanyl)butanamide

C5H13N2O2P — CID 175028066

IUPAC(2R)-2-amino-4-(hydroxymethylphosphanyl)butanamide
SMILESNC(=O)[C@H](N)CCPCO
InChIInChI=1S/C5H13N2O2P/c6-4(5(7)9)1-2-10-3-8/h4,8,10H,1-3,6H2,(H2,7,9)/t4-/m1/s1
InChIKeyUEBATPQPHPQALO-SCSAIBSYSA-N
MW164.14 g/mol
LogP-1.18
Rot. Bonds5

About (2R)-2-amino-4-(hydroxymethylphosphanyl)butanamide

(2R)-2-amino-4-(hydroxymethylphosphanyl)butanamide (PubChem CID 175028066) has the molecular formula C5H13N2O2P and a molecular weight of 164.14 g/mol. Its IUPAC name is (2R)-2-amino-4-(hydroxymethylphosphanyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-(hydroxymethylphosphanyl)butanamide
PubChem CID175028066
Molecular FormulaC5H13N2O2P
Molecular Weight164.14 g/mol
Exact Mass164.07
IUPAC Name(2R)-2-amino-4-(hydroxymethylphosphanyl)butanamide
SMILESNC(=O)[C@H](N)CCPCO
InChIInChI=1S/C5H13N2O2P/c6-4(5(7)9)1-2-10-3-8/h4,8,10H,1-3,6H2,(H2,7,9)/t4-/m1/s1
InChIKeyUEBATPQPHPQALO-SCSAIBSYSA-N
XLogP-1.18
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-(hydroxymethylphosphanyl)butanamide?
The IUPAC name of (2R)-2-amino-4-(hydroxymethylphosphanyl)butanamide (CID 175028066) is (2R)-2-amino-4-(hydroxymethylphosphanyl)butanamide.
What is the SMILES notation for (2R)-2-amino-4-(hydroxymethylphosphanyl)butanamide?
The canonical SMILES for (2R)-2-amino-4-(hydroxymethylphosphanyl)butanamide is NC(=O)[C@H](N)CCPCO.
What is the InChIKey of (2R)-2-amino-4-(hydroxymethylphosphanyl)butanamide?
The InChIKey is UEBATPQPHPQALO-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H13N2O2P/c6-4(5(7)9)1-2-10-3-8/h4,8,10H,1-3,6H2,(H2,7,9)/t4-/m1/s1.
What are the key properties of (2R)-2-amino-4-(hydroxymethylphosphanyl)butanamide?
(2R)-2-amino-4-(hydroxymethylphosphanyl)butanamide has a molecular weight of 164.14 g/mol, XLogP of -1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-(hydroxymethylphosphanyl)butanamide is sourced from PubChem (CID 175028066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).