butyl 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]acetate

C11H22N2O3 — CID 104580235

IUPACbutyl 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]acetate
SMILESCCCCOC(=O)CNC(C)(C)CC(N)=O
InChIInChI=1S/C11H22N2O3/c1-4-5-6-16-10(15)8-13-11(2,3)7-9(12)14/h13H,4-8H2,1-3H3,(H2,12,14)
InChIKeyPCKDNJWBKOANFG-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.57
Rot. Bonds8

About butyl 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]acetate

butyl 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]acetate (PubChem CID 104580235) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is butyl 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]acetate.

Molecular Properties

Compound Namebutyl 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]acetate
PubChem CID104580235
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namebutyl 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]acetate
SMILESCCCCOC(=O)CNC(C)(C)CC(N)=O
InChIInChI=1S/C11H22N2O3/c1-4-5-6-16-10(15)8-13-11(2,3)7-9(12)14/h13H,4-8H2,1-3H3,(H2,12,14)
InChIKeyPCKDNJWBKOANFG-UHFFFAOYSA-N
XLogP0.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-butoxy-2-methyl-4-oxobutan-2-yl)amino]acetic acid
CID 140557146
butyl 2-(methylamino)acetate;methane
CID 157477406
butyl 3-hydroxy-3-methylbutanoate
CID 54482919
butyl 3,3-dihydroxybutanoate
CID 166790981
pentyl 2-(butoxycarbonylamino)acetate
CID 6422768
butyl 3-carboxyoxy-3-methylbutanoate
CID 88926419
butyl 2-[(2,2-difluoro-3-hydroxypropyl)amino]acetate
CID 106175952
butyl 2-(2,2-dimethylhydrazinyl)acetate
CID 83014680
butyl 2-(carbamoylamino)acetate;prop-2-yn-1-amine
CID 158486467
butyl 2-(octylamino)acetate
CID 115567498
2-amino-4-butoxy-2-methyl-4-oxobutanoic acid
CID 54294843
butyl 8-[(2-butoxy-2-oxoethyl)amino]-8-oxooctanoate
CID 6426995

Frequently Asked Questions

What is the IUPAC name of butyl 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]acetate?
The IUPAC name of butyl 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]acetate (CID 104580235) is butyl 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]acetate.
What is the SMILES notation for butyl 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]acetate?
The canonical SMILES for butyl 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]acetate is CCCCOC(=O)CNC(C)(C)CC(N)=O.
What is the InChIKey of butyl 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]acetate?
The InChIKey is PCKDNJWBKOANFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-5-6-16-10(15)8-13-11(2,3)7-9(12)14/h13H,4-8H2,1-3H3,(H2,12,14).
What are the key properties of butyl 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]acetate?
butyl 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]acetate has a molecular weight of 230.31 g/mol, XLogP of 0.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]acetate is sourced from PubChem (CID 104580235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).