[(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid

C9H11NO3 — CID 69394441

IUPAC[(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid
SMILESC[C@H](NC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C9H11NO3/c1-6(10-9(12)13)7-2-4-8(11)5-3-7/h2-6,10-11H,1H3,(H,12,13)/t6-/m0/s1
InChIKeyCSOFPCUIONMBTL-LURJTMIESA-N
MW181.19 g/mol
LogP1.72
Rot. Bonds2

About [(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid

[(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid (PubChem CID 69394441) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is [(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid.

Molecular Properties

Compound Name[(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid
PubChem CID69394441
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name[(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid
SMILESC[C@H](NC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C9H11NO3/c1-6(10-9(12)13)7-2-4-8(11)5-3-7/h2-6,10-11H,1H3,(H,12,13)/t6-/m0/s1
InChIKeyCSOFPCUIONMBTL-LURJTMIESA-N
XLogP1.72
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-1-(4-hydroxyphenyl)ethyl]carbamic acid
CID 69395015
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
[(1S)-1-(4-formylphenyl)ethyl]carbamic acid
CID 118959221
2-chloro-N-[(1S)-1-(4-hydroxyphenyl)ethyl]acetamide
CID 141483840
butyl N-[1-(4-hydroxyphenyl)ethyl]carbamate
CID 22382006
[(1S)-1-(6-bromo-3-pyridinyl)ethyl]carbamic acid
CID 139530984
[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid
CID 124508416
1-[4-[(Z)-N-hydroxy-C-(trifluoromethyl)carbonimidoyl]phenyl]ethylcarbamic acid
CID 87083994
1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1S)-1-(4-hydroxyphenyl)ethyl]urea
CID 125443345
6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride
CID 51041246
N-[1-(4-hydroxyphenyl)ethyl]acetamide;methoxymethane;pyrrolidine
CID 144603083
benzyl (2S,5R)-2,5-diamino-6-[1-(4-hydroxyphenyl)ethylamino]-6-oxohexanoate
CID 158096563

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid?
The IUPAC name of [(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid (CID 69394441) is [(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid.
What is the SMILES notation for [(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid?
The canonical SMILES for [(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid is C[C@H](NC(=O)O)c1ccc(O)cc1.
What is the InChIKey of [(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid?
The InChIKey is CSOFPCUIONMBTL-LURJTMIESA-N. The full InChI is InChI=1S/C9H11NO3/c1-6(10-9(12)13)7-2-4-8(11)5-3-7/h2-6,10-11H,1H3,(H,12,13)/t6-/m0/s1.
What are the key properties of [(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid?
[(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid has a molecular weight of 181.19 g/mol, XLogP of 1.72, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid is sourced from PubChem (CID 69394441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).