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

C10H20N2O3 — CID 80543490

IUPACmethyl 2-[(4-amino-2-methylbutanoyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)C(C)CCN
InChIInChI=1S/C10H20N2O3/c1-7(5-6-11)8(13)12-10(2,3)9(14)15-4/h7H,5-6,11H2,1-4H3,(H,12,13)
InChIKeyNQBRGMGJVICSBF-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.04
Rot. Bonds5

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

methyl 2-[(4-amino-2-methylbutanoyl)amino]-2-methylpropanoate (PubChem CID 80543490) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 2-[(4-amino-2-methylbutanoyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-2-methylbutanoyl)amino]-2-methylpropanoate
PubChem CID80543490
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 2-[(4-amino-2-methylbutanoyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)C(C)CCN
InChIInChI=1S/C10H20N2O3/c1-7(5-6-11)8(13)12-10(2,3)9(14)15-4/h7H,5-6,11H2,1-4H3,(H,12,13)
InChIKeyNQBRGMGJVICSBF-UHFFFAOYSA-N
XLogP0.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoate
CID 62851658
4-amino-2-methyl-N-(3-methylpentan-3-yl)butanamide
CID 106328547
4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylbutanamide
CID 106187972
methyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate
CID 79011701
methyl 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylpropanoate
CID 62474644
2-[(4-amino-2-methylbutanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 80544124
methyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylpropanoate
CID 104907366
(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
4-amino-2-methyl-N-propan-2-ylbutanamide
CID 80541541
(2S)-5-amino-2-methyl-N-(2-methylbutan-2-yl)pentanamide
CID 143373195
methyl 2-[(2-amino-4-phenylbutanoyl)amino]-2-methylpropanoate
CID 114926078
methyl 2-[[2-[[(2S)-2-[[2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate
CID 10482842

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-2-methylbutanoyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(4-amino-2-methylbutanoyl)amino]-2-methylpropanoate (CID 80543490) is methyl 2-[(4-amino-2-methylbutanoyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(4-amino-2-methylbutanoyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(4-amino-2-methylbutanoyl)amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)C(C)CCN.
What is the InChIKey of methyl 2-[(4-amino-2-methylbutanoyl)amino]-2-methylpropanoate?
The InChIKey is NQBRGMGJVICSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(5-6-11)8(13)12-10(2,3)9(14)15-4/h7H,5-6,11H2,1-4H3,(H,12,13).
What are the key properties of methyl 2-[(4-amino-2-methylbutanoyl)amino]-2-methylpropanoate?
methyl 2-[(4-amino-2-methylbutanoyl)amino]-2-methylpropanoate has a molecular weight of 216.28 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-2-methylbutanoyl)amino]-2-methylpropanoate is sourced from PubChem (CID 80543490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).