[(2S)-2-(4-aminophenyl)-2-hydroxyethyl] carbamate

C9H12N2O3 — CID 175494072

IUPAC[(2S)-2-(4-aminophenyl)-2-hydroxyethyl] carbamate
SMILESNC(=O)OC[C@@H](O)c1ccc(N)cc1
InChIInChI=1S/C9H12N2O3/c10-7-3-1-6(2-4-7)8(12)5-14-9(11)13/h1-4,8,12H,5,10H2,(H2,11,13)/t8-/m1/s1
InChIKeyUGHFSSXJQBJPJN-MRVPVSSYSA-N
MW196.21 g/mol
LogP0.40
Rot. Bonds3

About [(2S)-2-(4-aminophenyl)-2-hydroxyethyl] carbamate

[(2S)-2-(4-aminophenyl)-2-hydroxyethyl] carbamate (PubChem CID 175494072) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is [(2S)-2-(4-aminophenyl)-2-hydroxyethyl] carbamate.

Molecular Properties

Compound Name[(2S)-2-(4-aminophenyl)-2-hydroxyethyl] carbamate
PubChem CID175494072
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name[(2S)-2-(4-aminophenyl)-2-hydroxyethyl] carbamate
SMILESNC(=O)OC[C@@H](O)c1ccc(N)cc1
InChIInChI=1S/C9H12N2O3/c10-7-3-1-6(2-4-7)8(12)5-14-9(11)13/h1-4,8,12H,5,10H2,(H2,11,13)/t8-/m1/s1
InChIKeyUGHFSSXJQBJPJN-MRVPVSSYSA-N
XLogP0.40
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-[3-(2-carbamoyloxy-1-hydroxyethyl)-4-methylphenyl]-2-hydroxyethyl] carbamate
CID 54127627
2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol
CID 46307232
[2-hydroxy-2-(3-hydroxy-4-methylsulfonylphenyl)ethyl] carbamate
CID 67826417
[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate
CID 91998811
1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol
CID 62265767
4-[4-(4-aminophenyl)phenyl]-4-hydroxybutanoic acid
CID 21437925
N-[2-(4-aminophenyl)-2-hydroxyethyl]acetamide
CID 43461402
[2-hydroxy-2-(4-methoxyphenyl)ethyl] acetate
CID 13275342
[3-carbamoyloxy-2-(4-fluorophenyl)propyl] carbamate
CID 10332621
4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]benzamide
CID 60876825
2-[[2-(4-aminophenyl)-2-hydroxyethyl]-butylamino]acetamide
CID 62265584
1-(4-aminophenyl)-2-(2,4-dibromophenoxy)ethanol
CID 64718642

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-aminophenyl)-2-hydroxyethyl] carbamate?
The IUPAC name of [(2S)-2-(4-aminophenyl)-2-hydroxyethyl] carbamate (CID 175494072) is [(2S)-2-(4-aminophenyl)-2-hydroxyethyl] carbamate.
What is the SMILES notation for [(2S)-2-(4-aminophenyl)-2-hydroxyethyl] carbamate?
The canonical SMILES for [(2S)-2-(4-aminophenyl)-2-hydroxyethyl] carbamate is NC(=O)OC[C@@H](O)c1ccc(N)cc1.
What is the InChIKey of [(2S)-2-(4-aminophenyl)-2-hydroxyethyl] carbamate?
The InChIKey is UGHFSSXJQBJPJN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12N2O3/c10-7-3-1-6(2-4-7)8(12)5-14-9(11)13/h1-4,8,12H,5,10H2,(H2,11,13)/t8-/m1/s1.
What are the key properties of [(2S)-2-(4-aminophenyl)-2-hydroxyethyl] carbamate?
[(2S)-2-(4-aminophenyl)-2-hydroxyethyl] carbamate has a molecular weight of 196.21 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-aminophenyl)-2-hydroxyethyl] carbamate is sourced from PubChem (CID 175494072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).