[(1S)-1-(3-hydroxyphenyl)ethyl]urea

C9H12N2O2 — CID 130686101

IUPAC[(1S)-1-(3-hydroxyphenyl)ethyl]urea
SMILESC[C@H](NC(N)=O)c1cccc(O)c1
InChIInChI=1S/C9H12N2O2/c1-6(11-9(10)13)7-3-2-4-8(12)5-7/h2-6,12H,1H3,(H3,10,11,13)/t6-/m0/s1
InChIKeyQCNLCWQDCXWSIL-LURJTMIESA-N
MW180.21 g/mol
LogP1.12
Rot. Bonds2

About [(1S)-1-(3-hydroxyphenyl)ethyl]urea

[(1S)-1-(3-hydroxyphenyl)ethyl]urea (PubChem CID 130686101) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is [(1S)-1-(3-hydroxyphenyl)ethyl]urea.

Molecular Properties

Compound Name[(1S)-1-(3-hydroxyphenyl)ethyl]urea
PubChem CID130686101
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name[(1S)-1-(3-hydroxyphenyl)ethyl]urea
SMILESC[C@H](NC(N)=O)c1cccc(O)c1
InChIInChI=1S/C9H12N2O2/c1-6(11-9(10)13)7-3-2-4-8(12)5-7/h2-6,12H,1H3,(H3,10,11,13)/t6-/m0/s1
InChIKeyQCNLCWQDCXWSIL-LURJTMIESA-N
XLogP1.12
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 61153949
3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
CID 60837485
(2R)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 113353325
(2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
CID 79025425
2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 76893024
2-amino-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 61213095
tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate
CID 56955758
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421
N-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide
CID 112688965
1-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propylurea
CID 95239729
2-(2-aminoethoxy)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 79473809
3-[3-[1-(carbamoylamino)ethyl]phenyl]prop-2-enoic acid
CID 54971578

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3-hydroxyphenyl)ethyl]urea?
The IUPAC name of [(1S)-1-(3-hydroxyphenyl)ethyl]urea (CID 130686101) is [(1S)-1-(3-hydroxyphenyl)ethyl]urea.
What is the SMILES notation for [(1S)-1-(3-hydroxyphenyl)ethyl]urea?
The canonical SMILES for [(1S)-1-(3-hydroxyphenyl)ethyl]urea is C[C@H](NC(N)=O)c1cccc(O)c1.
What is the InChIKey of [(1S)-1-(3-hydroxyphenyl)ethyl]urea?
The InChIKey is QCNLCWQDCXWSIL-LURJTMIESA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(11-9(10)13)7-3-2-4-8(12)5-7/h2-6,12H,1H3,(H3,10,11,13)/t6-/m0/s1.
What are the key properties of [(1S)-1-(3-hydroxyphenyl)ethyl]urea?
[(1S)-1-(3-hydroxyphenyl)ethyl]urea has a molecular weight of 180.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3-hydroxyphenyl)ethyl]urea is sourced from PubChem (CID 130686101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).