methyl 2-amino-2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]butanoate

C12H26N2O3 — CID 81074648

IUPACmethyl 2-amino-2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]butanoate
SMILESCOC(=O)C(C)(N)CCN(C)CCOC(C)C
InChIInChI=1S/C12H26N2O3/c1-10(2)17-9-8-14(4)7-6-12(3,13)11(15)16-5/h10H,6-9,13H2,1-5H3
InChIKeyNPZJLOZMBNOUEN-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.62
Rot. Bonds8

About methyl 2-amino-2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]butanoate

methyl 2-amino-2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]butanoate (PubChem CID 81074648) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is methyl 2-amino-2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]butanoate
PubChem CID81074648
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Namemethyl 2-amino-2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]butanoate
SMILESCOC(=O)C(C)(N)CCN(C)CCOC(C)C
InChIInChI=1S/C12H26N2O3/c1-10(2)17-9-8-14(4)7-6-12(3,13)11(15)16-5/h10H,6-9,13H2,1-5H3
InChIKeyNPZJLOZMBNOUEN-UHFFFAOYSA-N
XLogP0.62
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate
CID 81062130
ethyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate
CID 81073933
2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanamide
CID 81061565
methyl 2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoate
CID 81062894
hydrazinyl 3-[methyl(2-propan-2-yloxyethyl)amino]propanoate
CID 81068250
2,2-dimethyl-4-[methyl(2-propan-2-yloxyethyl)amino]butanethioamide
CID 81055852
methyl 2-amino-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate
CID 65485948
1-N,2-dimethyl-1-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055039
2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
CID 81057064
methyl 2,2-dimethyl-5-propan-2-yloxypentanoate
CID 59323556
3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 81062243
2-hydroxy-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
CID 81056783

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]butanoate?
The IUPAC name of methyl 2-amino-2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]butanoate (CID 81074648) is methyl 2-amino-2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]butanoate.
What is the SMILES notation for methyl 2-amino-2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]butanoate?
The canonical SMILES for methyl 2-amino-2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]butanoate is COC(=O)C(C)(N)CCN(C)CCOC(C)C.
What is the InChIKey of methyl 2-amino-2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]butanoate?
The InChIKey is NPZJLOZMBNOUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-10(2)17-9-8-14(4)7-6-12(3,13)11(15)16-5/h10H,6-9,13H2,1-5H3.
What are the key properties of methyl 2-amino-2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]butanoate?
methyl 2-amino-2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]butanoate has a molecular weight of 246.35 g/mol, XLogP of 0.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]butanoate is sourced from PubChem (CID 81074648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).