2-hydroxyethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate

C11H15NO4 — CID 107863811

IUPAC2-hydroxyethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
SMILESO=C(N[C@@H](CO)c1ccccc1)OCCO
InChIInChI=1S/C11H15NO4/c13-6-7-16-11(15)12-10(8-14)9-4-2-1-3-5-9/h1-5,10,13-14H,6-8H2,(H,12,15)/t10-/m0/s1
InChIKeyJTVXQJMLHROCOL-JTQLQIEISA-N
MW225.24 g/mol
LogP0.44
Rot. Bonds5

About 2-hydroxyethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate

2-hydroxyethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate (PubChem CID 107863811) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-hydroxyethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
PubChem CID107863811
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-hydroxyethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
SMILESO=C(N[C@@H](CO)c1ccccc1)OCCO
InChIInChI=1S/C11H15NO4/c13-6-7-16-11(15)12-10(8-14)9-4-2-1-3-5-9/h1-5,10,13-14H,6-8H2,(H,12,15)/t10-/m0/s1
InChIKeyJTVXQJMLHROCOL-JTQLQIEISA-N
XLogP0.44
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 7023599
2,2,2-trichloroethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 101490832
2-amino-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 63183868
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863809
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
(2S)-2-hydroxy-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 75483745
(2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 97340411
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
1-(2-hydroxy-1-phenylethyl)-3-phenylmethoxyurea
CID 110933498
benzyl N-[(2S)-1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 101336347

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate (CID 107863811) is 2-hydroxyethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate is O=C(N[C@@H](CO)c1ccccc1)OCCO.
What is the InChIKey of 2-hydroxyethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate?
The InChIKey is JTVXQJMLHROCOL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO4/c13-6-7-16-11(15)12-10(8-14)9-4-2-1-3-5-9/h1-5,10,13-14H,6-8H2,(H,12,15)/t10-/m0/s1.
What are the key properties of 2-hydroxyethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate?
2-hydroxyethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate has a molecular weight of 225.24 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate is sourced from PubChem (CID 107863811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).