1-hydroxy-3-[(1R)-1-phenylethyl]urea

C9H12N2O2 — CID 50905877

IUPAC1-hydroxy-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)NO)c1ccccc1
InChIInChI=1S/C9H12N2O2/c1-7(10-9(12)11-13)8-5-3-2-4-6-8/h2-7,13H,1H3,(H2,10,11,12)/t7-/m1/s1
InChIKeyRTFKIDYTVUQTTD-SSDOTTSWSA-N
MW180.21 g/mol
LogP1.44
Rot. Bonds2

About 1-hydroxy-3-[(1R)-1-phenylethyl]urea

1-hydroxy-3-[(1R)-1-phenylethyl]urea (PubChem CID 50905877) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-hydroxy-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-hydroxy-3-[(1R)-1-phenylethyl]urea
PubChem CID50905877
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-hydroxy-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)NO)c1ccccc1
InChIInChI=1S/C9H12N2O2/c1-7(10-9(12)11-13)8-5-3-2-4-6-8/h2-7,13H,1H3,(H2,10,11,12)/t7-/m1/s1
InChIKeyRTFKIDYTVUQTTD-SSDOTTSWSA-N
XLogP1.44
TPSA61.36 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 ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-hydroxy-3-[(1R)-1-phenylethyl]urea 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

1-(5-methylhexan-2-yl)-3-(1-phenylethyl)urea
CID 78834581
(2S,3R)-3-hydroxy-2-(1-phenylethylcarbamoylamino)butanoic acid
CID 104965687
(2S)-3-hydroxy-2-(1-phenylethylcarbamoylamino)propanoic acid
CID 61189105
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-phenylethyl]urea
CID 38288341
N-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide
CID 76779917
1-(1-phenylethyl)-3-prop-1-en-2-ylurea
CID 108910190
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
1-[(1S)-1-phenylethyl]-3-[8-[[(1S)-1-phenylethyl]carbamoylamino]octyl]urea
CID 102519107
ethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate
CID 10084171
4-hydroxy-2-(1-phenylethylcarbamoylamino)butanoic acid
CID 61244988
(2S)-N-ethyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanamide
CID 36515448
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-[(1R)-1-phenylethyl]urea?
The IUPAC name of 1-hydroxy-3-[(1R)-1-phenylethyl]urea (CID 50905877) is 1-hydroxy-3-[(1R)-1-phenylethyl]urea.
What is the SMILES notation for 1-hydroxy-3-[(1R)-1-phenylethyl]urea?
The canonical SMILES for 1-hydroxy-3-[(1R)-1-phenylethyl]urea is C[C@@H](NC(=O)NO)c1ccccc1.
What is the InChIKey of 1-hydroxy-3-[(1R)-1-phenylethyl]urea?
The InChIKey is RTFKIDYTVUQTTD-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7(10-9(12)11-13)8-5-3-2-4-6-8/h2-7,13H,1H3,(H2,10,11,12)/t7-/m1/s1.
What are the key properties of 1-hydroxy-3-[(1R)-1-phenylethyl]urea?
1-hydroxy-3-[(1R)-1-phenylethyl]urea has a molecular weight of 180.21 g/mol, XLogP of 1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 50905877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).