tert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate

C14H29NO3 — CID 64688775

IUPACtert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate
SMILESCCC(C)N(CCOC)C(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H29NO3/c1-8-11(2)15(9-10-17-7)12(3)13(16)18-14(4,5)6/h11-12H,8-10H2,1-7H3
InChIKeySOQKZIRFXKLCGZ-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.46
Rot. Bonds7

About tert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate

tert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate (PubChem CID 64688775) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is tert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate
PubChem CID64688775
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Nametert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate
SMILESCCC(C)N(CCOC)C(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H29NO3/c1-8-11(2)15(9-10-17-7)12(3)13(16)18-14(4,5)6/h11-12H,8-10H2,1-7H3
InChIKeySOQKZIRFXKLCGZ-UHFFFAOYSA-N
XLogP2.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-amino-3-[butan-2-yl(2-methoxyethyl)amino]butyl]carbamate
CID 102729842
tert-butyl 2-[ethyl(propan-2-yl)amino]propanoate
CID 64689549
tert-butyl 4-[butan-2-yl(2-methoxyethyl)amino]-4-oxobutanoate
CID 106707257
4-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64710876
ethyl 2-[butan-2-yl(2-methoxyethyl)amino]pentanoate
CID 83041497
tert-butyl 2-[bis(3-methylbutyl)amino]propanoate
CID 107870355
3-[butan-2-yl(2-methoxyethyl)amino]-2-methylbutanehydrazide
CID 79408378
4-amino-2-[butan-2-yl(2-methoxyethyl)amino]butanoic acid
CID 64693788
tert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate
CID 66338147
3-amino-2-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
CID 104710921
tert-butyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoate
CID 66337048
N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-2-(methylamino)propanamide
CID 62845655

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate?
The IUPAC name of tert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate (CID 64688775) is tert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for tert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate?
The canonical SMILES for tert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate is CCC(C)N(CCOC)C(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate?
The InChIKey is SOQKZIRFXKLCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-8-11(2)15(9-10-17-7)12(3)13(16)18-14(4,5)6/h11-12H,8-10H2,1-7H3.
What are the key properties of tert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate?
tert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate has a molecular weight of 259.39 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 64688775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).