tert-butyl 2-amino-4-[methoxy(methyl)amino]-4-oxobutanoate

C10H20N2O4 — CID 90348684

IUPACtert-butyl 2-amino-4-[methoxy(methyl)amino]-4-oxobutanoate
SMILESCON(C)C(=O)CC(N)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O4/c1-10(2,3)16-9(14)7(11)6-8(13)12(4)15-5/h7H,6,11H2,1-5H3
InChIKeyBLZXFUSTGFYKEW-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.07
Rot. Bonds4

About tert-butyl 2-amino-4-[methoxy(methyl)amino]-4-oxobutanoate

tert-butyl 2-amino-4-[methoxy(methyl)amino]-4-oxobutanoate (PubChem CID 90348684) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is tert-butyl 2-amino-4-[methoxy(methyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 2-amino-4-[methoxy(methyl)amino]-4-oxobutanoate
PubChem CID90348684
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Nametert-butyl 2-amino-4-[methoxy(methyl)amino]-4-oxobutanoate
SMILESCON(C)C(=O)CC(N)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O4/c1-10(2,3)16-9(14)7(11)6-8(13)12(4)15-5/h7H,6,11H2,1-5H3
InChIKeyBLZXFUSTGFYKEW-UHFFFAOYSA-N
XLogP0.07
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2R)-4-[methoxy(methyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
CID 57382108
1-O-tert-butyl 4-O-methyl (2R)-2-aminobutanedioate
CID 14352279
ditert-butyl (2S)-2-aminobutanedioate;ditert-butyl (2R)-2-aminobutanedioate
CID 163821206
tert-butyl N-[(3R)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 24824435
(3R)-4,4,4-trichloro-3-hydroxy-N-methoxy-N-methylbutanamide
CID 11543342
tert-butyl (2R)-2-aminobutanoate
CID 13283520
N-methoxy-N,3-dimethylbutanamide
CID 10975620
tert-butyl (2S)-2-aminopent-4-ynoate
CID 44754800
tert-butyl 2,4-diaminopentanoate;hydrochloride
CID 73010870
tert-butyl 2-amino-4-(tert-butylamino)-4-oxobutanoate
CID 87443348
tert-butyl N-[(3R)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate
CID 24824434
3-hydroxy-N-methoxy-N-methylbutanamide
CID 73159357

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-4-[methoxy(methyl)amino]-4-oxobutanoate?
The IUPAC name of tert-butyl 2-amino-4-[methoxy(methyl)amino]-4-oxobutanoate (CID 90348684) is tert-butyl 2-amino-4-[methoxy(methyl)amino]-4-oxobutanoate.
What is the SMILES notation for tert-butyl 2-amino-4-[methoxy(methyl)amino]-4-oxobutanoate?
The canonical SMILES for tert-butyl 2-amino-4-[methoxy(methyl)amino]-4-oxobutanoate is CON(C)C(=O)CC(N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-amino-4-[methoxy(methyl)amino]-4-oxobutanoate?
The InChIKey is BLZXFUSTGFYKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-10(2,3)16-9(14)7(11)6-8(13)12(4)15-5/h7H,6,11H2,1-5H3.
What are the key properties of tert-butyl 2-amino-4-[methoxy(methyl)amino]-4-oxobutanoate?
tert-butyl 2-amino-4-[methoxy(methyl)amino]-4-oxobutanoate has a molecular weight of 232.28 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-4-[methoxy(methyl)amino]-4-oxobutanoate is sourced from PubChem (CID 90348684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).