tert-butyl 4-[(4-methyloxan-4-yl)methylamino]-4-oxobutanoate

C15H27NO4 — CID 106812233

IUPACtert-butyl 4-[(4-methyloxan-4-yl)methylamino]-4-oxobutanoate
SMILESCC1(CNC(=O)CCC(=O)OC(C)(C)C)CCOCC1
InChIInChI=1S/C15H27NO4/c1-14(2,3)20-13(18)6-5-12(17)16-11-15(4)7-9-19-10-8-15/h5-11H2,1-4H3,(H,16,17)
InChIKeyAXRNNNFJRVURMF-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.04
Rot. Bonds5

About tert-butyl 4-[(4-methyloxan-4-yl)methylamino]-4-oxobutanoate

tert-butyl 4-[(4-methyloxan-4-yl)methylamino]-4-oxobutanoate (PubChem CID 106812233) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is tert-butyl 4-[(4-methyloxan-4-yl)methylamino]-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-[(4-methyloxan-4-yl)methylamino]-4-oxobutanoate
PubChem CID106812233
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nametert-butyl 4-[(4-methyloxan-4-yl)methylamino]-4-oxobutanoate
SMILESCC1(CNC(=O)CCC(=O)OC(C)(C)C)CCOCC1
InChIInChI=1S/C15H27NO4/c1-14(2,3)20-13(18)6-5-12(17)16-11-15(4)7-9-19-10-8-15/h5-11H2,1-4H3,(H,16,17)
InChIKeyAXRNNNFJRVURMF-UHFFFAOYSA-N
XLogP2.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 114125228
2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide
CID 103742498
tert-butyl 4-(ethylamino)-4-oxobutanoate
CID 106706793
2-(ethylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide
CID 103812942
2-(cyclopropylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide
CID 103843990
N-[(4-methyloxan-4-yl)methyl]-3-pyrrolidin-3-ylpropanamide
CID 103859951
tert-butyl 6-[(4-methyloxan-4-yl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 169161321
tert-butyl 4-[[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 106707309
tert-butyl 4-(2,2-difluoroethylamino)-4-oxobutanoate
CID 106707626
tert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate
CID 106706920
tert-butyl 3-[(4-methyloxan-4-yl)methylamino]piperidine-1-carboxylate
CID 103949364
N-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 71686917

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-methyloxan-4-yl)methylamino]-4-oxobutanoate?
The IUPAC name of tert-butyl 4-[(4-methyloxan-4-yl)methylamino]-4-oxobutanoate (CID 106812233) is tert-butyl 4-[(4-methyloxan-4-yl)methylamino]-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-[(4-methyloxan-4-yl)methylamino]-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-[(4-methyloxan-4-yl)methylamino]-4-oxobutanoate is CC1(CNC(=O)CCC(=O)OC(C)(C)C)CCOCC1.
What is the InChIKey of tert-butyl 4-[(4-methyloxan-4-yl)methylamino]-4-oxobutanoate?
The InChIKey is AXRNNNFJRVURMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-14(2,3)20-13(18)6-5-12(17)16-11-15(4)7-9-19-10-8-15/h5-11H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl 4-[(4-methyloxan-4-yl)methylamino]-4-oxobutanoate?
tert-butyl 4-[(4-methyloxan-4-yl)methylamino]-4-oxobutanoate has a molecular weight of 285.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-methyloxan-4-yl)methylamino]-4-oxobutanoate is sourced from PubChem (CID 106812233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).