[ethyl(2-methylbutanoyl)amino]phosphonic acid

C7H16NO4P — CID 87900288

IUPAC[ethyl(2-methylbutanoyl)amino]phosphonic acid
SMILESCCC(C)C(=O)N(CC)P(=O)(O)O
InChIInChI=1S/C7H16NO4P/c1-4-6(3)7(9)8(5-2)13(10,11)12/h6H,4-5H2,1-3H3,(H2,10,11,12)
InChIKeyXSNCMLXHSYSZMO-UHFFFAOYSA-N
MW209.18 g/mol
LogP0.97
Rot. Bonds4

About [ethyl(2-methylbutanoyl)amino]phosphonic acid

[ethyl(2-methylbutanoyl)amino]phosphonic acid (PubChem CID 87900288) has the molecular formula C7H16NO4P and a molecular weight of 209.18 g/mol. Its IUPAC name is [ethyl(2-methylbutanoyl)amino]phosphonic acid.

Molecular Properties

Compound Name[ethyl(2-methylbutanoyl)amino]phosphonic acid
PubChem CID87900288
Molecular FormulaC7H16NO4P
Molecular Weight209.18 g/mol
Exact Mass209.08
IUPAC Name[ethyl(2-methylbutanoyl)amino]phosphonic acid
SMILESCCC(C)C(=O)N(CC)P(=O)(O)O
InChIInChI=1S/C7H16NO4P/c1-4-6(3)7(9)8(5-2)13(10,11)12/h6H,4-5H2,1-3H3,(H2,10,11,12)
InChIKeyXSNCMLXHSYSZMO-UHFFFAOYSA-N
XLogP0.97
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
N-ethyl-N,2-dimethylbutanamide
CID 89343843
(2R)-N-hydroxy-N,2-dimethylbutanamide
CID 171076136
N-acetyl-N,2-dimethylbutanamide;ethane
CID 177191863
N,2-dimethyl-N-propylbutanamide
CID 89368936
N-ethyl-2-methyl-N-propan-2-ylpropanamide
CID 157175110
N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)butanamide
CID 78854118
N-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide
CID 115771825
dimethoxyphosphoryl 2-methylbutanoate
CID 174709594
N-(2-bromoethyl)-N,2-dimethylbutanamide
CID 80658346
[2-methylpropanoyl(phosphonomethyl)amino]methylphosphonic acid
CID 162426224
(2R)-2-(diethylamino)-4-methylhexan-3-one
CID 130410399

Frequently Asked Questions

What is the IUPAC name of [ethyl(2-methylbutanoyl)amino]phosphonic acid?
The IUPAC name of [ethyl(2-methylbutanoyl)amino]phosphonic acid (CID 87900288) is [ethyl(2-methylbutanoyl)amino]phosphonic acid.
What is the SMILES notation for [ethyl(2-methylbutanoyl)amino]phosphonic acid?
The canonical SMILES for [ethyl(2-methylbutanoyl)amino]phosphonic acid is CCC(C)C(=O)N(CC)P(=O)(O)O.
What is the InChIKey of [ethyl(2-methylbutanoyl)amino]phosphonic acid?
The InChIKey is XSNCMLXHSYSZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO4P/c1-4-6(3)7(9)8(5-2)13(10,11)12/h6H,4-5H2,1-3H3,(H2,10,11,12).
What are the key properties of [ethyl(2-methylbutanoyl)amino]phosphonic acid?
[ethyl(2-methylbutanoyl)amino]phosphonic acid has a molecular weight of 209.18 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(2-methylbutanoyl)amino]phosphonic acid is sourced from PubChem (CID 87900288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).