methyl 2-carbamoyl-3-methyl-2-propan-2-ylbutanoate

C10H19NO3 — CID 3507009

IUPACmethyl 2-carbamoyl-3-methyl-2-propan-2-ylbutanoate
SMILESCOC(=O)C(C(N)=O)(C(C)C)C(C)C
InChIInChI=1S/C10H19NO3/c1-6(2)10(7(3)4,8(11)12)9(13)14-5/h6-7H,1-5H3,(H2,11,12)
InChIKeyMOYZWIMHNOUNOF-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.94
Rot. Bonds4

About methyl 2-carbamoyl-3-methyl-2-propan-2-ylbutanoate

methyl 2-carbamoyl-3-methyl-2-propan-2-ylbutanoate (PubChem CID 3507009) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-carbamoyl-3-methyl-2-propan-2-ylbutanoate.

Molecular Properties

Compound Namemethyl 2-carbamoyl-3-methyl-2-propan-2-ylbutanoate
PubChem CID3507009
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-carbamoyl-3-methyl-2-propan-2-ylbutanoate
SMILESCOC(=O)C(C(N)=O)(C(C)C)C(C)C
InChIInChI=1S/C10H19NO3/c1-6(2)10(7(3)4,8(11)12)9(13)14-5/h6-7H,1-5H3,(H2,11,12)
InChIKeyMOYZWIMHNOUNOF-UHFFFAOYSA-N
XLogP0.94
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2,2-di(propan-2-yl)propanedioate
CID 22899345
dimethyl 2-(1-aminoethyl)-2-methylpropanedioate
CID 154853473
methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate
CID 87710360
methyl 2-bromo-2,3-dimethylbutanoate
CID 13167259
methyl 2-methoxy-2,3-dimethylbutanoate
CID 59972485
methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate;hydrochloride
CID 87710370
N',N'-diethoxy-2,2-di(propan-2-yl)propanediamide
CID 151236893
methyl (2R)-2-amino-2-isocyano-3-methylbutanoate
CID 21337399
methyl (2S,3R)-2-amino-3-hydroxy-2-methylbutanoate
CID 15609948
methyl (3S)-2-amino-3-hydroxy-2-methylbutanoate
CID 175060753
methyl (2R)-2-ethyl-2,3-dimethylbutanoate
CID 118967887
methyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate
CID 62488791

Frequently Asked Questions

What is the IUPAC name of methyl 2-carbamoyl-3-methyl-2-propan-2-ylbutanoate?
The IUPAC name of methyl 2-carbamoyl-3-methyl-2-propan-2-ylbutanoate (CID 3507009) is methyl 2-carbamoyl-3-methyl-2-propan-2-ylbutanoate.
What is the SMILES notation for methyl 2-carbamoyl-3-methyl-2-propan-2-ylbutanoate?
The canonical SMILES for methyl 2-carbamoyl-3-methyl-2-propan-2-ylbutanoate is COC(=O)C(C(N)=O)(C(C)C)C(C)C.
What is the InChIKey of methyl 2-carbamoyl-3-methyl-2-propan-2-ylbutanoate?
The InChIKey is MOYZWIMHNOUNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6(2)10(7(3)4,8(11)12)9(13)14-5/h6-7H,1-5H3,(H2,11,12).
What are the key properties of methyl 2-carbamoyl-3-methyl-2-propan-2-ylbutanoate?
methyl 2-carbamoyl-3-methyl-2-propan-2-ylbutanoate has a molecular weight of 201.27 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-carbamoyl-3-methyl-2-propan-2-ylbutanoate is sourced from PubChem (CID 3507009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).