[4-[(1R)-2-amino-1-hydroxyethyl]phenyl]carbamic acid

C9H12N2O3 — CID 146189274

IUPAC[4-[(1R)-2-amino-1-hydroxyethyl]phenyl]carbamic acid
SMILESNC[C@H](O)c1ccc(NC(=O)O)cc1
InChIInChI=1S/C9H12N2O3/c10-5-8(12)6-1-3-7(4-2-6)11-9(13)14/h1-4,8,11-12H,5,10H2,(H,13,14)/t8-/m0/s1
InChIKeyIGKBHBAHWMSFNV-QMMMGPOBSA-N
MW196.21 g/mol
LogP0.77
Rot. Bonds3

About [4-[(1R)-2-amino-1-hydroxyethyl]phenyl]carbamic acid

[4-[(1R)-2-amino-1-hydroxyethyl]phenyl]carbamic acid (PubChem CID 146189274) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is [4-[(1R)-2-amino-1-hydroxyethyl]phenyl]carbamic acid.

Molecular Properties

Compound Name[4-[(1R)-2-amino-1-hydroxyethyl]phenyl]carbamic acid
PubChem CID146189274
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name[4-[(1R)-2-amino-1-hydroxyethyl]phenyl]carbamic acid
SMILESNC[C@H](O)c1ccc(NC(=O)O)cc1
InChIInChI=1S/C9H12N2O3/c10-5-8(12)6-1-3-7(4-2-6)11-9(13)14/h1-4,8,11-12H,5,10H2,(H,13,14)/t8-/m0/s1
InChIKeyIGKBHBAHWMSFNV-QMMMGPOBSA-N
XLogP0.77
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-acetamidophenyl)-3-hydroxypropanoic acid
CID 95997401
2-amino-1-(4-methylphenyl)ethanol;ethane
CID 145260878
methyl 4-[(1S)-2-amino-1-hydroxyethyl]benzoate
CID 94590796
(1S)-2-amino-1-(4-ethylphenyl)ethanol
CID 42182576
2-amino-1-phenylethanol;ethane
CID 91425169
2-amino-1-[4-(1-hydroxyethyl)phenyl]ethanol
CID 117278888
hexane-1,2,3,4,5,6-hexol;phenylcarbamic acid
CID 54607151
N-[4-(2-bromo-1-hydroxyethyl)phenyl]acetamide
CID 22563212
[6-(aminomethyl)-3-pyridinyl]carbamic acid
CID 118212846
2-(1-aminopropan-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
CID 66216878
ethyl 3-hydroxy-3-[4-(methylamino)phenyl]propanoate
CID 163492180
2-[[2-(4-acetamidophenyl)-2-hydroxyethyl]amino]acetic acid
CID 82314595

Frequently Asked Questions

What is the IUPAC name of [4-[(1R)-2-amino-1-hydroxyethyl]phenyl]carbamic acid?
The IUPAC name of [4-[(1R)-2-amino-1-hydroxyethyl]phenyl]carbamic acid (CID 146189274) is [4-[(1R)-2-amino-1-hydroxyethyl]phenyl]carbamic acid.
What is the SMILES notation for [4-[(1R)-2-amino-1-hydroxyethyl]phenyl]carbamic acid?
The canonical SMILES for [4-[(1R)-2-amino-1-hydroxyethyl]phenyl]carbamic acid is NC[C@H](O)c1ccc(NC(=O)O)cc1.
What is the InChIKey of [4-[(1R)-2-amino-1-hydroxyethyl]phenyl]carbamic acid?
The InChIKey is IGKBHBAHWMSFNV-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12N2O3/c10-5-8(12)6-1-3-7(4-2-6)11-9(13)14/h1-4,8,11-12H,5,10H2,(H,13,14)/t8-/m0/s1.
What are the key properties of [4-[(1R)-2-amino-1-hydroxyethyl]phenyl]carbamic acid?
[4-[(1R)-2-amino-1-hydroxyethyl]phenyl]carbamic acid has a molecular weight of 196.21 g/mol, XLogP of 0.77, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R)-2-amino-1-hydroxyethyl]phenyl]carbamic acid is sourced from PubChem (CID 146189274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).