methyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-methylamino]-2-methylpropanoate

C12H23N3O4 — CID 55008307

IUPACmethyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)C(NC(N)=O)C(C)C
InChIInChI=1S/C12H23N3O4/c1-7(2)9(14-12(13)18)10(16)15(4)6-8(3)11(17)19-5/h7-9H,6H2,1-5H3,(H3,13,14,18)
InChIKeyIJWUEEGUNDULBO-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.05
Rot. Bonds6

About methyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-methylamino]-2-methylpropanoate

methyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-methylamino]-2-methylpropanoate (PubChem CID 55008307) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-methylamino]-2-methylpropanoate
PubChem CID55008307
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Namemethyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)C(NC(N)=O)C(C)C
InChIInChI=1S/C12H23N3O4/c1-7(2)9(14-12(13)18)10(16)15(4)6-8(3)11(17)19-5/h7-9H,6H2,1-5H3,(H3,13,14,18)
InChIKeyIJWUEEGUNDULBO-UHFFFAOYSA-N
XLogP-0.05
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-methylamino]-2-methylpropanoate with MolForge

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Related Compounds

methyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-methylamino]propanoate
CID 54997524
methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate
CID 79024253
2-acetamido-N-(2-hydroxypropyl)-N,3-dimethylbutanamide
CID 62334399
methyl 2-methyl-3-[methyl(3-methylbutan-2-yl)amino]propanoate
CID 43570291
methyl 3-[(2-amino-4-methylsulfonylbutanoyl)-methylamino]-2-methylpropanoate
CID 54873448
methyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-ethylamino]propanoate
CID 54898842
(2R)-3-hydroxy-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid
CID 80757790
(2S)-3-hydroxy-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid
CID 55005844
3-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid
CID 60989657
methyl 3-[[(2S)-2-amino-3-phenylpropanoyl]-methylamino]-2-methylpropanoate
CID 61163621
ethyl 2-[[2-(carbamoylamino)-3-methylbutanoyl]-propan-2-ylamino]acetate
CID 61021307
(2S)-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]pentanoic acid
CID 107566626

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-methylamino]-2-methylpropanoate (CID 55008307) is methyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)C(=O)C(NC(N)=O)C(C)C.
What is the InChIKey of methyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-methylamino]-2-methylpropanoate?
The InChIKey is IJWUEEGUNDULBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-7(2)9(14-12(13)18)10(16)15(4)6-8(3)11(17)19-5/h7-9H,6H2,1-5H3,(H3,13,14,18).
What are the key properties of methyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-methylamino]-2-methylpropanoate?
methyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-methylamino]-2-methylpropanoate has a molecular weight of 273.33 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-methylamino]-2-methylpropanoate is sourced from PubChem (CID 55008307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).