2-hydroxy-N-(2-hydroxyethyl)butanamide;phosphoric acid

C6H16NO7P — CID 87238099

IUPAC2-hydroxy-N-(2-hydroxyethyl)butanamide;phosphoric acid
SMILESCCC(O)C(=O)NCCO.O=P(O)(O)O
InChIInChI=1S/C6H13NO3.H3O4P/c1-2-5(9)6(10)7-3-4-8;1-5(2,3)4/h5,8-9H,2-4H2,1H3,(H,7,10);(H3,1,2,3,4)
InChIKeyZNZZSHYEYHOXDP-UHFFFAOYSA-N
MW245.17 g/mol
LogP-2.06
Rot. Bonds4

About 2-hydroxy-N-(2-hydroxyethyl)butanamide;phosphoric acid

2-hydroxy-N-(2-hydroxyethyl)butanamide;phosphoric acid (PubChem CID 87238099) has the molecular formula C6H16NO7P and a molecular weight of 245.17 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxyethyl)butanamide;phosphoric acid.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxyethyl)butanamide;phosphoric acid
PubChem CID87238099
Molecular FormulaC6H16NO7P
Molecular Weight245.17 g/mol
Exact Mass245.07
IUPAC Name2-hydroxy-N-(2-hydroxyethyl)butanamide;phosphoric acid
SMILESCCC(O)C(=O)NCCO.O=P(O)(O)O
InChIInChI=1S/C6H13NO3.H3O4P/c1-2-5(9)6(10)7-3-4-8;1-5(2,3)4/h5,8-9H,2-4H2,1H3,(H,7,10);(H3,1,2,3,4)
InChIKeyZNZZSHYEYHOXDP-UHFFFAOYSA-N
XLogP-2.06
TPSA147.32 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.17
LogP ≤ 5-2.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(2-hydroxyethyl)butanamide
CID 86250603
2-hydroxy-N-(2-hydroxyethyl)propanamide;phosphoric acid
CID 87238089
2,4-diethyl-N,N'-bis(2-hydroxyethyl)pentanediamide
CID 89382357
(2S)-2-hydroxy-N-(2-methoxyethyl)butanamide
CID 118219628
N-(2,3-dihydroxypropyl)-2-hydroxybutanamide
CID 90334941
2-hydroxy-N-(2-hydroxyethyl)-3-methylbutanamide
CID 130024184
N-(2-hydroxyethyl)hexadecanamide;phosphoric acid
CID 172708754
2-amino-N,N'-bis(2-hydroxyethyl)propanediamide
CID 173250932
2,2-dichloro-N-(2-hydroxyethyl)acetamide
CID 5228722
N-ethyl-2,4-dihydroxybutanamide
CID 54530435
2,3-dihydroxy-N,N'-dipropylbutanediamide
CID 13226339
(2S)-2-amino-N-(2-hydroxyethyl)pentanamide
CID 89064333

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)butanamide;phosphoric acid?
The IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)butanamide;phosphoric acid (CID 87238099) is 2-hydroxy-N-(2-hydroxyethyl)butanamide;phosphoric acid.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxyethyl)butanamide;phosphoric acid?
The canonical SMILES for 2-hydroxy-N-(2-hydroxyethyl)butanamide;phosphoric acid is CCC(O)C(=O)NCCO.O=P(O)(O)O.
What is the InChIKey of 2-hydroxy-N-(2-hydroxyethyl)butanamide;phosphoric acid?
The InChIKey is ZNZZSHYEYHOXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3.H3O4P/c1-2-5(9)6(10)7-3-4-8;1-5(2,3)4/h5,8-9H,2-4H2,1H3,(H,7,10);(H3,1,2,3,4).
What are the key properties of 2-hydroxy-N-(2-hydroxyethyl)butanamide;phosphoric acid?
2-hydroxy-N-(2-hydroxyethyl)butanamide;phosphoric acid has a molecular weight of 245.17 g/mol, XLogP of -2.06, 4 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxyethyl)butanamide;phosphoric acid is sourced from PubChem (CID 87238099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).