methyl 2-methyl-3-(3-methylbutanoylamino)propanoate

C10H19NO3 — CID 59983678

IUPACmethyl 2-methyl-3-(3-methylbutanoylamino)propanoate
SMILESCOC(=O)C(C)CNC(=O)CC(C)C
InChIInChI=1S/C10H19NO3/c1-7(2)5-9(12)11-6-8(3)10(13)14-4/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyGSMVNBHIRQIXGU-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.96
Rot. Bonds5

About methyl 2-methyl-3-(3-methylbutanoylamino)propanoate

methyl 2-methyl-3-(3-methylbutanoylamino)propanoate (PubChem CID 59983678) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-methyl-3-(3-methylbutanoylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(3-methylbutanoylamino)propanoate
PubChem CID59983678
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-methyl-3-(3-methylbutanoylamino)propanoate
SMILESCOC(=O)C(C)CNC(=O)CC(C)C
InChIInChI=1S/C10H19NO3/c1-7(2)5-9(12)11-6-8(3)10(13)14-4/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyGSMVNBHIRQIXGU-UHFFFAOYSA-N
XLogP0.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-bromo-3-(3-methylbutanoylamino)propanoate
CID 103492559
methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
CID 119951074
(2S)-2-amino-3-(3-methylbutanoylamino)propanoic acid
CID 169059714
methyl 3-(methoxyamino)-2-methylpropanoate
CID 60702587
methyl 3-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride
CID 120500179
3-methyl-N-(2-methylpropyl)butanamide;propan-2-yl N-(2-methylpropyl)carbamate
CID 162127345
N-(cyanomethyl)-3-methylbutanamide
CID 4630751
methyl 3-(ethylamino)-2-methylpropanoate
CID 3889298
methyl 3-[[2-(ethylamino)-2-oxoethyl]amino]-2-methylpropanoate
CID 43566979
N-[2-[(2-methoxyacetyl)amino]ethyl]-3-methylbutanamide
CID 108538544
N-(2-chloro-4-methylpentyl)-3-methylbutanamide
CID 107157282
dimethyl (2S,7S)-2,7-dimethyloct-4-ynedioate
CID 163588468

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(3-methylbutanoylamino)propanoate?
The IUPAC name of methyl 2-methyl-3-(3-methylbutanoylamino)propanoate (CID 59983678) is methyl 2-methyl-3-(3-methylbutanoylamino)propanoate.
What is the SMILES notation for methyl 2-methyl-3-(3-methylbutanoylamino)propanoate?
The canonical SMILES for methyl 2-methyl-3-(3-methylbutanoylamino)propanoate is COC(=O)C(C)CNC(=O)CC(C)C.
What is the InChIKey of methyl 2-methyl-3-(3-methylbutanoylamino)propanoate?
The InChIKey is GSMVNBHIRQIXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(2)5-9(12)11-6-8(3)10(13)14-4/h7-8H,5-6H2,1-4H3,(H,11,12).
What are the key properties of methyl 2-methyl-3-(3-methylbutanoylamino)propanoate?
methyl 2-methyl-3-(3-methylbutanoylamino)propanoate has a molecular weight of 201.27 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(3-methylbutanoylamino)propanoate is sourced from PubChem (CID 59983678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).