methyl 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylpropanoate

C10H20N2O4 — CID 62474644

IUPACmethyl 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylpropanoate
SMILESCOCCC(N)C(=O)NC(C)(C)C(=O)OC
InChIInChI=1S/C10H20N2O4/c1-10(2,9(14)16-4)12-8(13)7(11)5-6-15-3/h7H,5-6,11H2,1-4H3,(H,12,13)
InChIKeyICYBRAVEBNVGND-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.58
Rot. Bonds6

About methyl 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylpropanoate

methyl 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylpropanoate (PubChem CID 62474644) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylpropanoate
PubChem CID62474644
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Namemethyl 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylpropanoate
SMILESCOCCC(N)C(=O)NC(C)(C)C(=O)OC
InChIInChI=1S/C10H20N2O4/c1-10(2,9(14)16-4)12-8(13)7(11)5-6-15-3/h7H,5-6,11H2,1-4H3,(H,12,13)
InChIKeyICYBRAVEBNVGND-UHFFFAOYSA-N
XLogP-0.58
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylpropanoate
CID 104907366
2-[(2-amino-4-methoxybutanoyl)amino]-2-methylbutanoic acid
CID 79798220
methyl 2-[(2-amino-4-phenylbutanoyl)amino]-2-methylpropanoate
CID 114926078
2-[(2-amino-3-methoxypropanoyl)amino]-2-methylpropanamide
CID 81089472
methyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate
CID 79011701
methyl 2-[(4-amino-2-methylbutanoyl)amino]-2-methylpropanoate
CID 80543490
2-amino-N-(2-aminoethyl)-4-methoxybutanamide
CID 62477473
2-amino-N-(2-hydroxyethyl)-4-methoxybutanamide
CID 62472987
2-amino-5-methoxy-N-(2,4,4-trimethylpentan-2-yl)pentanamide
CID 81082635
(3S)-3-amino-4-[[(2S)-1-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 73347171
tert-butyl (2R)-2-amino-4-methoxybutanoate
CID 170904338
(2S)-2-amino-N-tert-butyl-3-methoxypropanamide
CID 164800240

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylpropanoate (CID 62474644) is methyl 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylpropanoate is COCCC(N)C(=O)NC(C)(C)C(=O)OC.
What is the InChIKey of methyl 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylpropanoate?
The InChIKey is ICYBRAVEBNVGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-10(2,9(14)16-4)12-8(13)7(11)5-6-15-3/h7H,5-6,11H2,1-4H3,(H,12,13).
What are the key properties of methyl 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylpropanoate?
methyl 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylpropanoate has a molecular weight of 232.28 g/mol, XLogP of -0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylpropanoate is sourced from PubChem (CID 62474644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).