butyl 2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetate

C11H23NO3 — CID 79248871

IUPACbutyl 2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetate
SMILESCCCCOC(=O)CNC(CO)C(C)C
InChIInChI=1S/C11H23NO3/c1-4-5-6-15-11(14)7-12-10(8-13)9(2)3/h9-10,12-13H,4-8H2,1-3H3
InChIKeyROIIZYMQSFECCN-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.94
Rot. Bonds8

About butyl 2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetate

butyl 2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetate (PubChem CID 79248871) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is butyl 2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetate.

Molecular Properties

Compound Namebutyl 2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetate
PubChem CID79248871
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Namebutyl 2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetate
SMILESCCCCOC(=O)CNC(CO)C(C)C
InChIInChI=1S/C11H23NO3/c1-4-5-6-15-11(14)7-12-10(8-13)9(2)3/h9-10,12-13H,4-8H2,1-3H3
InChIKeyROIIZYMQSFECCN-UHFFFAOYSA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.94
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

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CID 62198750
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CID 61304310
butyl 2-(but-3-yn-2-ylamino)acetate
CID 114416491
butyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]acetate
CID 113406977
butyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]acetate
CID 60681488
butyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate
CID 106159517
butyl (3S)-3-(butanoylamino)-4-methylpentanoate
CID 102246803
butyl 2-(methylamino)acetate;methane
CID 157477406
butyl butanoate;propane-1,2-diol
CID 159909381
1-O-butyl 3-O-(3,3-dimethylbutan-2-yl) propanedioate
CID 91717917
10-O-butyl 1-O-methyl decanedioate
CID 22057000
ethane;propyl 2-(propan-2-ylamino)acetate
CID 158517744

Frequently Asked Questions

What is the IUPAC name of butyl 2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetate?
The IUPAC name of butyl 2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetate (CID 79248871) is butyl 2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetate.
What is the SMILES notation for butyl 2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetate?
The canonical SMILES for butyl 2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetate is CCCCOC(=O)CNC(CO)C(C)C.
What is the InChIKey of butyl 2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetate?
The InChIKey is ROIIZYMQSFECCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-5-6-15-11(14)7-12-10(8-13)9(2)3/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of butyl 2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetate?
butyl 2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetate has a molecular weight of 217.31 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetate is sourced from PubChem (CID 79248871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).