tert-butyl carbamate;3-(4-hydroxyphenyl)propanoic acid

C14H21NO5 — CID 145067130

IUPACtert-butyl carbamate;3-(4-hydroxyphenyl)propanoic acid
SMILESCC(C)(C)OC(N)=O.O=C(O)CCc1ccc(O)cc1
InChIInChI=1S/C9H10O3.C5H11NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12;1-5(2,3)8-4(6)7/h1-2,4-5,10H,3,6H2,(H,11,12);1-3H3,(H2,6,7)
InChIKeyPQJQKZDOSQZPAK-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.29
Rot. Bonds3

About tert-butyl carbamate;3-(4-hydroxyphenyl)propanoic acid

tert-butyl carbamate;3-(4-hydroxyphenyl)propanoic acid (PubChem CID 145067130) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is tert-butyl carbamate;3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Nametert-butyl carbamate;3-(4-hydroxyphenyl)propanoic acid
PubChem CID145067130
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Nametert-butyl carbamate;3-(4-hydroxyphenyl)propanoic acid
SMILESCC(C)(C)OC(N)=O.O=C(O)CCc1ccc(O)cc1
InChIInChI=1S/C9H10O3.C5H11NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12;1-5(2,3)8-4(6)7/h1-2,4-5,10H,3,6H2,(H,11,12);1-3H3,(H2,6,7)
InChIKeyPQJQKZDOSQZPAK-UHFFFAOYSA-N
XLogP2.29
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl carbamate;3-(4-hydroxyphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl carbamate;tert-butyl carbamate;3-phenylpropanoic acid
CID 143560152
3-(4-hydroxyphenyl)propanoic acid;methane
CID 70425679
3-amino-2-(1-deuterio-2-methylpropan-2-yl)oxycarbonylbutanoic acid;3-(4-hydroxyphenyl)propanoic acid
CID 158624452
3-[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]propanoic acid
CID 118703205
3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
CID 822003
tert-butyl carbamate;propylbenzene
CID 146635957
tert-butyl carbamate;4-propylaniline
CID 174513475
tert-butyl carbamate;2-phenylethyl carbamate
CID 142108258
3-[4-[3-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]phenyl]propanoic acid
CID 70088992
3-(4-hydroxyphenyl)propanoic acid;3-(4-hydroxyphenyl)prop-2-enoic acid
CID 70212366
(2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 54499711
1,2-dipropylcyclohexane;3-(4-hydroxyphenyl)propanoic acid
CID 174942592

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of tert-butyl carbamate;3-(4-hydroxyphenyl)propanoic acid (CID 145067130) is tert-butyl carbamate;3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for tert-butyl carbamate;3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for tert-butyl carbamate;3-(4-hydroxyphenyl)propanoic acid is CC(C)(C)OC(N)=O.O=C(O)CCc1ccc(O)cc1.
What is the InChIKey of tert-butyl carbamate;3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is PQJQKZDOSQZPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.C5H11NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12;1-5(2,3)8-4(6)7/h1-2,4-5,10H,3,6H2,(H,11,12);1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;3-(4-hydroxyphenyl)propanoic acid?
tert-butyl carbamate;3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 283.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 145067130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).