[(2S)-3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamic acid

C11H13NO4 — CID 67569919

IUPAC[(2S)-3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamic acid
SMILESC[C@@H](CNC(=O)O)C(=O)c1ccc(O)cc1
InChIInChI=1S/C11H13NO4/c1-7(6-12-11(15)16)10(14)8-2-4-9(13)5-3-8/h2-5,7,12-13H,6H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeySUXAMZDPTUDLTF-ZETCQYMHSA-N
MW223.23 g/mol
LogP1.48
Rot. Bonds4

About [(2S)-3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamic acid

[(2S)-3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamic acid (PubChem CID 67569919) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is [(2S)-3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamic acid.

Molecular Properties

Compound Name[(2S)-3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamic acid
PubChem CID67569919
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name[(2S)-3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamic acid
SMILESC[C@@H](CNC(=O)O)C(=O)c1ccc(O)cc1
InChIInChI=1S/C11H13NO4/c1-7(6-12-11(15)16)10(14)8-2-4-9(13)5-3-8/h2-5,7,12-13H,6H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeySUXAMZDPTUDLTF-ZETCQYMHSA-N
XLogP1.48
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate
CID 174419381
benzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate
CID 10236470
2-(ethylamino)-1-(4-hydroxyphenyl)butan-1-one
CID 141149371
4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 80539044
3-anilino-2-methyl-1-phenylpropan-1-one
CID 13467340
2-amino-1-(4-hydroxyphenyl)propan-1-one;hydrochloride
CID 22601032
(2R)-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 914909
(2S)-2-amino-1-(4-hydroxyphenyl)-3-methylbutan-1-one
CID 67900502
(2S)-1-(4-hydroxyphenyl)-2-(2-phenylethylamino)propan-1-one
CID 69303201
3-(methoxymethylamino)-2-methyl-1-phenylpropan-1-one
CID 119081869
methyl 3-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]benzoate
CID 14995040
1-(4-hydroxyphenyl)-4-methylhexane-1,3-dione
CID 66764212

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamic acid?
The IUPAC name of [(2S)-3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamic acid (CID 67569919) is [(2S)-3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamic acid.
What is the SMILES notation for [(2S)-3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamic acid?
The canonical SMILES for [(2S)-3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamic acid is C[C@@H](CNC(=O)O)C(=O)c1ccc(O)cc1.
What is the InChIKey of [(2S)-3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamic acid?
The InChIKey is SUXAMZDPTUDLTF-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7(6-12-11(15)16)10(14)8-2-4-9(13)5-3-8/h2-5,7,12-13H,6H2,1H3,(H,15,16)/t7-/m0/s1.
What are the key properties of [(2S)-3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamic acid?
[(2S)-3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamic acid has a molecular weight of 223.23 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamic acid is sourced from PubChem (CID 67569919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).