[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-methylcarbamic acid

C10H12ClNO3 — CID 146585189

IUPAC[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-methylcarbamic acid
SMILESCN(C(=O)O)[C@@H](CO)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO3/c1-12(10(14)15)9(6-13)7-2-4-8(11)5-3-7/h2-5,9,13H,6H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyLRGUMDLPAQUIJT-VIFPVBQESA-N
MW229.66 g/mol
LogP1.98
Rot. Bonds3

About [(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-methylcarbamic acid

[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-methylcarbamic acid (PubChem CID 146585189) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is [(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-methylcarbamic acid.

Molecular Properties

Compound Name[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-methylcarbamic acid
PubChem CID146585189
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-methylcarbamic acid
SMILESCN(C(=O)O)[C@@H](CO)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO3/c1-12(10(14)15)9(6-13)7-2-4-8(11)5-3-7/h2-5,9,13H,6H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyLRGUMDLPAQUIJT-VIFPVBQESA-N
XLogP1.98
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-methylcarbamic acid 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

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-N-methyl-2-propylpyrazole-3-carboxamide
CID 138035834
2-[[2-(4-chlorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid
CID 62627629
2-[carboxymethyl-[1-(4-chlorophenyl)propyl]amino]acetic acid
CID 65065919
3,3-bis(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 22949885
[1-amino-3-(4-chlorophenyl)propan-2-yl]-methylcarbamic acid
CID 146584607
4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765131
2-[1-(4-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63585189
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
2-(4-chlorophenyl)-N,N,3-trimethylbutanamide
CID 60653268
2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 110460165
3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 110460305
methyl 4-[[benzenesulfonyl-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]benzoate
CID 123743688

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-methylcarbamic acid?
The IUPAC name of [(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-methylcarbamic acid (CID 146585189) is [(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-methylcarbamic acid.
What is the SMILES notation for [(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-methylcarbamic acid?
The canonical SMILES for [(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-methylcarbamic acid is CN(C(=O)O)[C@@H](CO)c1ccc(Cl)cc1.
What is the InChIKey of [(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-methylcarbamic acid?
The InChIKey is LRGUMDLPAQUIJT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-12(10(14)15)9(6-13)7-2-4-8(11)5-3-7/h2-5,9,13H,6H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of [(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-methylcarbamic acid?
[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-methylcarbamic acid has a molecular weight of 229.66 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-methylcarbamic acid is sourced from PubChem (CID 146585189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).