(2-amino-2-methylbutyl) phosphanylformate

C6H14NO2P — CID 163788820

IUPAC(2-amino-2-methylbutyl) phosphanylformate
SMILESCCC(C)(N)COC(=O)P
InChIInChI=1S/C6H14NO2P/c1-3-6(2,7)4-9-5(8)10/h3-4,7,10H2,1-2H3
InChIKeyMUXGDFJEEREKEO-UHFFFAOYSA-N
MW163.16 g/mol
LogP1.13
Rot. Bonds3

About (2-amino-2-methylbutyl) phosphanylformate

(2-amino-2-methylbutyl) phosphanylformate (PubChem CID 163788820) has the molecular formula C6H14NO2P and a molecular weight of 163.16 g/mol. Its IUPAC name is (2-amino-2-methylbutyl) phosphanylformate.

Molecular Properties

Compound Name(2-amino-2-methylbutyl) phosphanylformate
PubChem CID163788820
Molecular FormulaC6H14NO2P
Molecular Weight163.16 g/mol
Exact Mass163.08
IUPAC Name(2-amino-2-methylbutyl) phosphanylformate
SMILESCCC(C)(N)COC(=O)P
InChIInChI=1S/C6H14NO2P/c1-3-6(2,7)4-9-5(8)10/h3-4,7,10H2,1-2H3
InChIKeyMUXGDFJEEREKEO-UHFFFAOYSA-N
XLogP1.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.16
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-2-methylbutyl) methyl carbonate
CID 79336943
(2-amino-2-methylbutyl) N,N-dimethylcarbamate
CID 79337457
(2-amino-2-methylbutyl) N-ethylcarbamate
CID 79337657
(2,2-diethyl-3,3-dimethylbutyl) acetate
CID 21363584
butyl 2-(2-amino-2-methylbutoxy)acetate
CID 106940097
5-amino-5-methylheptan-3-one
CID 21330457
3-amino-3-methylpentanoyl chloride;hydrochloride
CID 18372009
1-(3-methoxypropoxy)-2-methylbutan-2-amine
CID 64573392
4-amino-2,2,4-trimethylhexanoic acid
CID 89085708
[(2R)-2-amino-3-hydroxy-2-methylpropyl] acetate
CID 10844523
2-(2-amino-2-methylbutoxy)-N-cyclopropylacetamide
CID 64572744
2-(2-amino-2-methylbutoxy)-N-pentan-2-ylacetamide
CID 64574230

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-methylbutyl) phosphanylformate?
The IUPAC name of (2-amino-2-methylbutyl) phosphanylformate (CID 163788820) is (2-amino-2-methylbutyl) phosphanylformate.
What is the SMILES notation for (2-amino-2-methylbutyl) phosphanylformate?
The canonical SMILES for (2-amino-2-methylbutyl) phosphanylformate is CCC(C)(N)COC(=O)P.
What is the InChIKey of (2-amino-2-methylbutyl) phosphanylformate?
The InChIKey is MUXGDFJEEREKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO2P/c1-3-6(2,7)4-9-5(8)10/h3-4,7,10H2,1-2H3.
What are the key properties of (2-amino-2-methylbutyl) phosphanylformate?
(2-amino-2-methylbutyl) phosphanylformate has a molecular weight of 163.16 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-methylbutyl) phosphanylformate is sourced from PubChem (CID 163788820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).