2,2,3-trimethyl-3-(phenoxycarbonylamino)butanoic acid

C14H19NO4 — CID 65266350

IUPAC2,2,3-trimethyl-3-(phenoxycarbonylamino)butanoic acid
SMILESCC(C)(NC(=O)Oc1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C14H19NO4/c1-13(2,11(16)17)14(3,4)15-12(18)19-10-8-6-5-7-9-10/h5-9H,1-4H3,(H,15,18)(H,16,17)
InChIKeyGYPTUIATVFWPPV-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.66
Rot. Bonds4

About 2,2,3-trimethyl-3-(phenoxycarbonylamino)butanoic acid

2,2,3-trimethyl-3-(phenoxycarbonylamino)butanoic acid (PubChem CID 65266350) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(phenoxycarbonylamino)butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(phenoxycarbonylamino)butanoic acid
PubChem CID65266350
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2,2,3-trimethyl-3-(phenoxycarbonylamino)butanoic acid
SMILESCC(C)(NC(=O)Oc1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C14H19NO4/c1-13(2,11(16)17)14(3,4)15-12(18)19-10-8-6-5-7-9-10/h5-9H,1-4H3,(H,15,18)(H,16,17)
InChIKeyGYPTUIATVFWPPV-UHFFFAOYSA-N
XLogP2.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(phenoxycarbonylamino)-2-phenylpropanoic acid
CID 62489572
2-methyl-2-(phenoxycarbonylamino)butanoic acid
CID 79793085
2,2,3-trimethyl-3-[(2-phenoxyacetyl)amino]butanoic acid
CID 65261292
phenyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate
CID 61121026
3-benzamido-2,2,3-trimethylbutanoic acid
CID 65261450
phenyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059186
methyl 2,3-dimethyl-2-(phenoxycarbonylamino)butanoate
CID 174910098
phenyl N-phenoxycarbonylcarbamate
CID 11043392
phenyl N-(phenoxycarbonylamino)carbamate
CID 14365715
phenyl N-(1,1,2-trifluoroethyl)carbamate
CID 155690482
phenyl N-(methylamino)carbamate
CID 59676988
phenyl N-[(E)-3-(phenoxycarbonylamino)but-2-en-2-yl]carbamate
CID 166171820

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(phenoxycarbonylamino)butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-(phenoxycarbonylamino)butanoic acid (CID 65266350) is 2,2,3-trimethyl-3-(phenoxycarbonylamino)butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(phenoxycarbonylamino)butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(phenoxycarbonylamino)butanoic acid is CC(C)(NC(=O)Oc1ccccc1)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-(phenoxycarbonylamino)butanoic acid?
The InChIKey is GYPTUIATVFWPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-13(2,11(16)17)14(3,4)15-12(18)19-10-8-6-5-7-9-10/h5-9H,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 2,2,3-trimethyl-3-(phenoxycarbonylamino)butanoic acid?
2,2,3-trimethyl-3-(phenoxycarbonylamino)butanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(phenoxycarbonylamino)butanoic acid is sourced from PubChem (CID 65266350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).