tert-butyl 4-[(2-methyloxan-4-yl)amino]-4-oxobutanoate

C14H25NO4 — CID 106812356

IUPACtert-butyl 4-[(2-methyloxan-4-yl)amino]-4-oxobutanoate
SMILESCC1CC(NC(=O)CCC(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C14H25NO4/c1-10-9-11(7-8-18-10)15-12(16)5-6-13(17)19-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,16)
InChIKeyONYGQQZOZKVUFR-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.79
Rot. Bonds4

About tert-butyl 4-[(2-methyloxan-4-yl)amino]-4-oxobutanoate

tert-butyl 4-[(2-methyloxan-4-yl)amino]-4-oxobutanoate (PubChem CID 106812356) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl 4-[(2-methyloxan-4-yl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-[(2-methyloxan-4-yl)amino]-4-oxobutanoate
PubChem CID106812356
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl 4-[(2-methyloxan-4-yl)amino]-4-oxobutanoate
SMILESCC1CC(NC(=O)CCC(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C14H25NO4/c1-10-9-11(7-8-18-10)15-12(16)5-6-13(17)19-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,16)
InChIKeyONYGQQZOZKVUFR-UHFFFAOYSA-N
XLogP1.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[(2-methyloxan-4-yl)amino]-4-oxobutanoate 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-(2-methyloxan-4-yl)carbamate
CID 103887643
tert-butyl 4-(cyclobutylamino)-4-oxobutanoate
CID 106707367
tert-butyl 4-[(4-ethylcyclohexyl)amino]-4-oxobutanoate
CID 106707162
tert-butyl 4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 106707567
N-cyclopropyl-4-[(2-methyloxan-4-yl)amino]butanamide
CID 79393847
ethyl N-(2-methyloxan-4-yl)carbamate
CID 103889471
3-amino-N-(2-methyloxan-4-yl)butanamide;hydrochloride
CID 120873943
tert-butyl 4-[(2,3-dimethylcyclohexyl)amino]-4-oxobutanoate
CID 106706973
tert-butyl N-methyl-N-[2-[(2-methyloxan-4-yl)amino]ethyl]carbamate
CID 103910604
2,2,2-trifluoroethyl N-(2-methyloxan-4-yl)carbamate
CID 103887484
2-anilino-N-(2-methyloxan-4-yl)acetamide
CID 114107774
tert-butyl 2-[2-[(2-methyloxan-4-yl)amino]propyl]pyrrolidine-1-carboxylate
CID 104871958

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-methyloxan-4-yl)amino]-4-oxobutanoate?
The IUPAC name of tert-butyl 4-[(2-methyloxan-4-yl)amino]-4-oxobutanoate (CID 106812356) is tert-butyl 4-[(2-methyloxan-4-yl)amino]-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-[(2-methyloxan-4-yl)amino]-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-[(2-methyloxan-4-yl)amino]-4-oxobutanoate is CC1CC(NC(=O)CCC(=O)OC(C)(C)C)CCO1.
What is the InChIKey of tert-butyl 4-[(2-methyloxan-4-yl)amino]-4-oxobutanoate?
The InChIKey is ONYGQQZOZKVUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10-9-11(7-8-18-10)15-12(16)5-6-13(17)19-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl 4-[(2-methyloxan-4-yl)amino]-4-oxobutanoate?
tert-butyl 4-[(2-methyloxan-4-yl)amino]-4-oxobutanoate has a molecular weight of 271.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-methyloxan-4-yl)amino]-4-oxobutanoate is sourced from PubChem (CID 106812356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).