butyl 2-(2-methoxypropylamino)acetate

C10H21NO3 — CID 102698141

IUPACbutyl 2-(2-methoxypropylamino)acetate
SMILESCCCCOC(=O)CNCC(C)OC
InChIInChI=1S/C10H21NO3/c1-4-5-6-14-10(12)8-11-7-9(2)13-3/h9,11H,4-8H2,1-3H3
InChIKeyYUZKVCANSMGOTK-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.95
Rot. Bonds8

About butyl 2-(2-methoxypropylamino)acetate

butyl 2-(2-methoxypropylamino)acetate (PubChem CID 102698141) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is butyl 2-(2-methoxypropylamino)acetate.

Molecular Properties

Compound Namebutyl 2-(2-methoxypropylamino)acetate
PubChem CID102698141
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Namebutyl 2-(2-methoxypropylamino)acetate
SMILESCCCCOC(=O)CNCC(C)OC
InChIInChI=1S/C10H21NO3/c1-4-5-6-14-10(12)8-11-7-9(2)13-3/h9,11H,4-8H2,1-3H3
InChIKeyYUZKVCANSMGOTK-UHFFFAOYSA-N
XLogP0.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.95
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

octyl 2-(2-methylpropylamino)acetate
CID 63065599
butyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]acetate
CID 62991023
butyl 2-(octylamino)acetate
CID 115567498
[(2-butoxy-2-oxoethyl)amino]methylphosphonic acid
CID 13208151
butyl 2-(hexan-2-ylamino)acetate
CID 62198750
butyl 2-(methylamino)acetate;methane
CID 157477406
pentyl 2-(propan-2-ylamino)acetate
CID 61304310
butyl 2-methoxypropyl carbonate
CID 87247456
butyl 3-methoxybutyl carbonate
CID 87247600
2-(2-methoxypropylamino)-N-pentan-2-ylacetamide
CID 102697868
propyl 2-(butylamino)acetate
CID 118604269
10-O-butyl 1-O-methyl decanedioate
CID 22057000

Frequently Asked Questions

What is the IUPAC name of butyl 2-(2-methoxypropylamino)acetate?
The IUPAC name of butyl 2-(2-methoxypropylamino)acetate (CID 102698141) is butyl 2-(2-methoxypropylamino)acetate.
What is the SMILES notation for butyl 2-(2-methoxypropylamino)acetate?
The canonical SMILES for butyl 2-(2-methoxypropylamino)acetate is CCCCOC(=O)CNCC(C)OC.
What is the InChIKey of butyl 2-(2-methoxypropylamino)acetate?
The InChIKey is YUZKVCANSMGOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-5-6-14-10(12)8-11-7-9(2)13-3/h9,11H,4-8H2,1-3H3.
What are the key properties of butyl 2-(2-methoxypropylamino)acetate?
butyl 2-(2-methoxypropylamino)acetate has a molecular weight of 203.28 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(2-methoxypropylamino)acetate is sourced from PubChem (CID 102698141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).