(3-methoxy-3-methylbutyl) 2-(propylamino)acetate

C11H23NO3 — CID 106665959

IUPAC(3-methoxy-3-methylbutyl) 2-(propylamino)acetate
SMILESCCCNCC(=O)OCCC(C)(C)OC
InChIInChI=1S/C11H23NO3/c1-5-7-12-9-10(13)15-8-6-11(2,3)14-4/h12H,5-9H2,1-4H3
InChIKeyNVBNPGKOADHPBA-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.34
Rot. Bonds8

About (3-methoxy-3-methylbutyl) 2-(propylamino)acetate

(3-methoxy-3-methylbutyl) 2-(propylamino)acetate (PubChem CID 106665959) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is (3-methoxy-3-methylbutyl) 2-(propylamino)acetate.

Molecular Properties

Compound Name(3-methoxy-3-methylbutyl) 2-(propylamino)acetate
PubChem CID106665959
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name(3-methoxy-3-methylbutyl) 2-(propylamino)acetate
SMILESCCCNCC(=O)OCCC(C)(C)OC
InChIInChI=1S/C11H23NO3/c1-5-7-12-9-10(13)15-8-6-11(2,3)14-4/h12H,5-9H2,1-4H3
InChIKeyNVBNPGKOADHPBA-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxy-3-methylbutyl) 2-methoxyacetate
CID 44602909
N-(2-methoxy-2-methylpropyl)-2-(propylamino)acetamide
CID 104761261
1-O-ethyl 6-O-(3-methoxy-3-methylbutyl) hexanedioate
CID 71397391
propyl 2-(2-hydroxyethylamino)acetate
CID 82358534
propyl 2-(butylamino)acetate
CID 118604269
2-methoxyethyl 2-(2-methoxyethylamino)acetate
CID 79271319
(3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate
CID 140987016
acetic acid;(3-methoxy-3-methylbutyl) acetate
CID 162329695
propyl 3-methoxy-3-methylbutanoate
CID 103021036
butyl 2-(octylamino)acetate
CID 115567498
(3-methoxy-3-methylbutyl) 2-(methylamino)butanoate
CID 106666081
(3-methoxy-3-methylbutyl) 3-(4-methylanilino)propanoate
CID 106666213

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylbutyl) 2-(propylamino)acetate?
The IUPAC name of (3-methoxy-3-methylbutyl) 2-(propylamino)acetate (CID 106665959) is (3-methoxy-3-methylbutyl) 2-(propylamino)acetate.
What is the SMILES notation for (3-methoxy-3-methylbutyl) 2-(propylamino)acetate?
The canonical SMILES for (3-methoxy-3-methylbutyl) 2-(propylamino)acetate is CCCNCC(=O)OCCC(C)(C)OC.
What is the InChIKey of (3-methoxy-3-methylbutyl) 2-(propylamino)acetate?
The InChIKey is NVBNPGKOADHPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-7-12-9-10(13)15-8-6-11(2,3)14-4/h12H,5-9H2,1-4H3.
What are the key properties of (3-methoxy-3-methylbutyl) 2-(propylamino)acetate?
(3-methoxy-3-methylbutyl) 2-(propylamino)acetate has a molecular weight of 217.31 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylbutyl) 2-(propylamino)acetate is sourced from PubChem (CID 106665959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).