methyl 2,3-dimethyl-2-(phenoxycarbonylamino)butanoate

C14H19NO4 — CID 174910098

IUPACmethyl 2,3-dimethyl-2-(phenoxycarbonylamino)butanoate
SMILESCOC(=O)C(C)(NC(=O)Oc1ccccc1)C(C)C
InChIInChI=1S/C14H19NO4/c1-10(2)14(3,12(16)18-4)15-13(17)19-11-8-6-5-7-9-11/h5-10H,1-4H3,(H,15,17)
InChIKeyDVVTVXSMROEETB-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.36
Rot. Bonds4

About methyl 2,3-dimethyl-2-(phenoxycarbonylamino)butanoate

methyl 2,3-dimethyl-2-(phenoxycarbonylamino)butanoate (PubChem CID 174910098) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2,3-dimethyl-2-(phenoxycarbonylamino)butanoate.

Molecular Properties

Compound Namemethyl 2,3-dimethyl-2-(phenoxycarbonylamino)butanoate
PubChem CID174910098
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2,3-dimethyl-2-(phenoxycarbonylamino)butanoate
SMILESCOC(=O)C(C)(NC(=O)Oc1ccccc1)C(C)C
InChIInChI=1S/C14H19NO4/c1-10(2)14(3,12(16)18-4)15-13(17)19-11-8-6-5-7-9-11/h5-10H,1-4H3,(H,15,17)
InChIKeyDVVTVXSMROEETB-UHFFFAOYSA-N
XLogP2.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-(methoxycarbonylamino)-2,3-dimethylbutanoate
CID 160630630
2-methyl-2-(phenoxycarbonylamino)butanoic acid
CID 79793085
2,2,3-trimethyl-3-(phenoxycarbonylamino)butanoic acid
CID 65266350
2-(phenoxycarbonylamino)-2-phenylpropanoic acid
CID 62489572
phenyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate
CID 61121026
methyl 2-acetamido-3-hydroxy-2-methyl-3-phenylpropanoate
CID 3841586
phenyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059186
methyl 2-[2-(4-methoxyphenyl)propanoylamino]-2,3-dimethylbutanoate
CID 18413307
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
ethane;methyl phenyl carbonate
CID 91113838
phenyl N-(N-tert-butyl-C-methylcarbonimidoyl)carbamate
CID 23660946
phenyl N-phenoxycarbonylcarbamate
CID 11043392

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dimethyl-2-(phenoxycarbonylamino)butanoate?
The IUPAC name of methyl 2,3-dimethyl-2-(phenoxycarbonylamino)butanoate (CID 174910098) is methyl 2,3-dimethyl-2-(phenoxycarbonylamino)butanoate.
What is the SMILES notation for methyl 2,3-dimethyl-2-(phenoxycarbonylamino)butanoate?
The canonical SMILES for methyl 2,3-dimethyl-2-(phenoxycarbonylamino)butanoate is COC(=O)C(C)(NC(=O)Oc1ccccc1)C(C)C.
What is the InChIKey of methyl 2,3-dimethyl-2-(phenoxycarbonylamino)butanoate?
The InChIKey is DVVTVXSMROEETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(2)14(3,12(16)18-4)15-13(17)19-11-8-6-5-7-9-11/h5-10H,1-4H3,(H,15,17).
What are the key properties of methyl 2,3-dimethyl-2-(phenoxycarbonylamino)butanoate?
methyl 2,3-dimethyl-2-(phenoxycarbonylamino)butanoate has a molecular weight of 265.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dimethyl-2-(phenoxycarbonylamino)butanoate is sourced from PubChem (CID 174910098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).