methyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate

C10H21NO2 — CID 62488791

IUPACmethyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate
SMILESCOC(=O)C(C)(NC(C)C)C(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)10(5,9(12)13-6)11-8(3)4/h7-8,11H,1-6H3
InChIKeyAFDPZFHXMMFPFN-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.57
Rot. Bonds4

About methyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate

methyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate (PubChem CID 62488791) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate
PubChem CID62488791
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate
SMILESCOC(=O)C(C)(NC(C)C)C(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)10(5,9(12)13-6)11-8(3)4/h7-8,11H,1-6H3
InChIKeyAFDPZFHXMMFPFN-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-(methoxycarbonylamino)-2,3-dimethylbutanoate
CID 160630630
dimethyl 2,2-di(propan-2-yl)propanedioate
CID 22899345
methyl 2-cyclopropyl-2-(propan-2-ylamino)propanoate
CID 60786156
methyl 2-methoxy-2,3-dimethylbutanoate
CID 59972485
methyl 2-bromo-2,3-dimethylbutanoate
CID 13167259
methyl 2-methyl-2-(3-methylbutan-2-ylamino)propanoate
CID 43726051
methyl (2R)-2-ethyl-2,3-dimethylbutanoate
CID 118967887
dimethyl 2-(1-aminoethyl)-2-methylpropanedioate
CID 154853473
methyl 2,3-dimethyl-2-(phenoxycarbonylamino)butanoate
CID 174910098
methyl (2S,3S)-2-acetamido-3-hydroxy-2,4-dimethylpentanoate
CID 11424486
methyl 2-methyl-3-(3-methylbutan-2-ylsulfanyl)-2-(propan-2-ylamino)propanoate
CID 107755800
methyl 2-methyl-2-(propan-2-ylamino)-4-propan-2-ylsulfanylpentanoate
CID 64709746

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate?
The IUPAC name of methyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate (CID 62488791) is methyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate.
What is the SMILES notation for methyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate?
The canonical SMILES for methyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate is COC(=O)C(C)(NC(C)C)C(C)C.
What is the InChIKey of methyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate?
The InChIKey is AFDPZFHXMMFPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(2)10(5,9(12)13-6)11-8(3)4/h7-8,11H,1-6H3.
What are the key properties of methyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate?
methyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate has a molecular weight of 187.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate is sourced from PubChem (CID 62488791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).