(4-amino-3-methyl-4-oxobutyl) formate

C6H11NO3 — CID 87468905

IUPAC(4-amino-3-methyl-4-oxobutyl) formate
SMILESCC(CCOC=O)C(N)=O
InChIInChI=1S/C6H11NO3/c1-5(6(7)9)2-3-10-4-8/h4-5H,2-3H2,1H3,(H2,7,9)
InChIKeyUWZJVNLKCJBDBL-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.33
Rot. Bonds5

About (4-amino-3-methyl-4-oxobutyl) formate

(4-amino-3-methyl-4-oxobutyl) formate (PubChem CID 87468905) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (4-amino-3-methyl-4-oxobutyl) formate.

Molecular Properties

Compound Name(4-amino-3-methyl-4-oxobutyl) formate
PubChem CID87468905
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(4-amino-3-methyl-4-oxobutyl) formate
SMILESCC(CCOC=O)C(N)=O
InChIInChI=1S/C6H11NO3/c1-5(6(7)9)2-3-10-4-8/h4-5H,2-3H2,1H3,(H2,7,9)
InChIKeyUWZJVNLKCJBDBL-UHFFFAOYSA-N
XLogP-0.33
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methyl-4-oxobutyl) formate?
The IUPAC name of (4-amino-3-methyl-4-oxobutyl) formate (CID 87468905) is (4-amino-3-methyl-4-oxobutyl) formate.
What is the SMILES notation for (4-amino-3-methyl-4-oxobutyl) formate?
The canonical SMILES for (4-amino-3-methyl-4-oxobutyl) formate is CC(CCOC=O)C(N)=O.
What is the InChIKey of (4-amino-3-methyl-4-oxobutyl) formate?
The InChIKey is UWZJVNLKCJBDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(6(7)9)2-3-10-4-8/h4-5H,2-3H2,1H3,(H2,7,9).
What are the key properties of (4-amino-3-methyl-4-oxobutyl) formate?
(4-amino-3-methyl-4-oxobutyl) formate has a molecular weight of 145.16 g/mol, XLogP of -0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methyl-4-oxobutyl) formate is sourced from PubChem (CID 87468905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).