tert-butyl 2-amino-4-(dimethylamino)-2-methyl-4-oxobutanoate

C11H22N2O3 — CID 175133888

IUPACtert-butyl 2-amino-4-(dimethylamino)-2-methyl-4-oxobutanoate
SMILESCN(C)C(=O)CC(C)(N)C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-10(2,3)16-9(15)11(4,12)7-8(14)13(5)6/h7,12H2,1-6H3
InChIKeyPQYVVAMDDQNNDE-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.52
Rot. Bonds3

About tert-butyl 2-amino-4-(dimethylamino)-2-methyl-4-oxobutanoate

tert-butyl 2-amino-4-(dimethylamino)-2-methyl-4-oxobutanoate (PubChem CID 175133888) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl 2-amino-4-(dimethylamino)-2-methyl-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 2-amino-4-(dimethylamino)-2-methyl-4-oxobutanoate
PubChem CID175133888
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl 2-amino-4-(dimethylamino)-2-methyl-4-oxobutanoate
SMILESCN(C)C(=O)CC(C)(N)C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-10(2,3)16-9(15)11(4,12)7-8(14)13(5)6/h7,12H2,1-6H3
InChIKeyPQYVVAMDDQNNDE-UHFFFAOYSA-N
XLogP0.52
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-amino-2-methylbutanoate
CID 57065148
tert-butyl (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 166066417
ethyl 4-(dimethylamino)-2-hydroxy-2-methyl-4-oxobutanoate
CID 87491131
tert-butyl (2S)-2,5-diamino-2-methylpentanoate
CID 54077962
tert-butyl 2-amino-2,2-diethoxyacetate
CID 87520437
tert-butyl 4-(dimethylamino)-4-oxobutanoate
CID 106706987
tert-butyl 2-amino-3-cyclopropyl-2-methylpropanoate
CID 90204397
tert-butyl (2R)-2-amino-2-hydroxypropanoate
CID 88686968
3-O-tert-butyl 1-O-ethyl 2-bromo-2-methylpropanedioate
CID 21329498
3-O-tert-butyl 1-O-ethyl (2R)-2-fluoro-2-methylpropanedioate
CID 126688340
N,N,3-trimethyl-3-sulfanylbutanamide
CID 90216913
3,3-difluoro-N,N-dimethylbutanamide
CID 130667654

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-4-(dimethylamino)-2-methyl-4-oxobutanoate?
The IUPAC name of tert-butyl 2-amino-4-(dimethylamino)-2-methyl-4-oxobutanoate (CID 175133888) is tert-butyl 2-amino-4-(dimethylamino)-2-methyl-4-oxobutanoate.
What is the SMILES notation for tert-butyl 2-amino-4-(dimethylamino)-2-methyl-4-oxobutanoate?
The canonical SMILES for tert-butyl 2-amino-4-(dimethylamino)-2-methyl-4-oxobutanoate is CN(C)C(=O)CC(C)(N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-amino-4-(dimethylamino)-2-methyl-4-oxobutanoate?
The InChIKey is PQYVVAMDDQNNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-10(2,3)16-9(15)11(4,12)7-8(14)13(5)6/h7,12H2,1-6H3.
What are the key properties of tert-butyl 2-amino-4-(dimethylamino)-2-methyl-4-oxobutanoate?
tert-butyl 2-amino-4-(dimethylamino)-2-methyl-4-oxobutanoate has a molecular weight of 230.31 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-4-(dimethylamino)-2-methyl-4-oxobutanoate is sourced from PubChem (CID 175133888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).