2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid

C17H25NO4 — CID 143731245

IUPAC2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid
SMILESCCC(CC)(C(=O)O)c1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO4/c1-6-17(7-2,14(19)20)12-10-8-9-11-13(12)18-15(21)22-16(3,4)5/h8-11H,6-7H2,1-5H3,(H,18,21)(H,19,20)
InChIKeyYEOMAPDZRVVFEV-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.18
Rot. Bonds5

About 2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid

2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid (PubChem CID 143731245) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid
PubChem CID143731245
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid
SMILESCCC(CC)(C(=O)O)c1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO4/c1-6-17(7-2,14(19)20)12-10-8-9-11-13(12)18-15(21)22-16(3,4)5/h8-11H,6-7H2,1-5H3,(H,18,21)(H,19,20)
InChIKeyYEOMAPDZRVVFEV-UHFFFAOYSA-N
XLogP4.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-[2-[2-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propan-2-yl]phenyl]carbamate
CID 134225119
methylidyne-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium
CID 135026210
tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate
CID 102449138
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
CID 68734535
tert-butyl N-[2-(heptan-4-ylamino)phenyl]carbamate
CID 107240279
tert-butyl N-[2-(3-hydroxypent-1-en-4-yn-3-yl)phenyl]carbamate
CID 102500965
tert-butyl N-[2-(3-ethylsulfanylpropylamino)phenyl]carbamate
CID 107240372
tert-butyl N-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-phenylphosphanyl]phenyl]carbamate
CID 11179384
tert-butyl N-(2-phenylsulfanylphenyl)carbamate
CID 12668805
tert-butyl N-[2-[(2S)-1-phenylbutan-2-yl]phenyl]carbamate
CID 134997675
tert-butyl N-[2-(prop-1-enylamino)phenyl]carbamate
CID 150343828

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid (CID 143731245) is 2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid is CCC(CC)(C(=O)O)c1ccccc1NC(=O)OC(C)(C)C.
What is the InChIKey of 2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid?
The InChIKey is YEOMAPDZRVVFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-6-17(7-2,14(19)20)12-10-8-9-11-13(12)18-15(21)22-16(3,4)5/h8-11H,6-7H2,1-5H3,(H,18,21)(H,19,20).
What are the key properties of 2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid?
2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid has a molecular weight of 307.39 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid is sourced from PubChem (CID 143731245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).