5-[(1R)-1-amino-2-hydroxyethyl]-2-hydroxybenzonitrile

C9H10N2O2 — CID 66513587

IUPAC5-[(1R)-1-amino-2-hydroxyethyl]-2-hydroxybenzonitrile
SMILESN#Cc1cc([C@@H](N)CO)ccc1O
InChIInChI=1S/C9H10N2O2/c10-4-7-3-6(8(11)5-12)1-2-9(7)13/h1-3,8,12-13H,5,11H2/t8-/m0/s1
InChIKeyHCYNFWVEKXCNLV-QMMMGPOBSA-N
MW178.19 g/mol
LogP0.26
Rot. Bonds2

About 5-[(1R)-1-amino-2-hydroxyethyl]-2-hydroxybenzonitrile

5-[(1R)-1-amino-2-hydroxyethyl]-2-hydroxybenzonitrile (PubChem CID 66513587) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 5-[(1R)-1-amino-2-hydroxyethyl]-2-hydroxybenzonitrile.

Molecular Properties

Compound Name5-[(1R)-1-amino-2-hydroxyethyl]-2-hydroxybenzonitrile
PubChem CID66513587
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name5-[(1R)-1-amino-2-hydroxyethyl]-2-hydroxybenzonitrile
SMILESN#Cc1cc([C@@H](N)CO)ccc1O
InChIInChI=1S/C9H10N2O2/c10-4-7-3-6(8(11)5-12)1-2-9(7)13/h1-3,8,12-13H,5,11H2/t8-/m0/s1
InChIKeyHCYNFWVEKXCNLV-QMMMGPOBSA-N
XLogP0.26
TPSA90.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol
CID 55277962
4-(1-amino-2-hydroxyethyl)-2-fluorophenol
CID 55282986
5-(4-aminobutan-2-yl)-2-hydroxybenzonitrile
CID 84771517
3-[(1R)-1-amino-2-hydroxyethyl]benzonitrile
CID 66513688
5-(1-amino-2-hydroxyethyl)-2-bromophenol
CID 84795164
3-[(1S)-1-amino-2-hydroxyethyl]-4-hydroxybenzonitrile
CID 55262887
2-(3-cyano-4-hydroxyphenyl)butanoic acid
CID 84778234
5-[(1R)-1-amino-4-hydroxybutyl]-2-fluorobenzonitrile;hydrochloride
CID 171211000
5-(1-amino-2-hydroxyethyl)-2-methoxy-3-methylbenzonitrile
CID 117294769
2-amino-5-[(1S)-1,2-diaminoethyl]benzonitrile
CID 66516116
4-[(1R)-1-amino-2-hydroxyethyl]phenol
CID 45083049
5-(1-amino-3-hydroxypropyl)-2-(dimethylamino)benzonitrile
CID 170875034

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-amino-2-hydroxyethyl]-2-hydroxybenzonitrile?
The IUPAC name of 5-[(1R)-1-amino-2-hydroxyethyl]-2-hydroxybenzonitrile (CID 66513587) is 5-[(1R)-1-amino-2-hydroxyethyl]-2-hydroxybenzonitrile.
What is the SMILES notation for 5-[(1R)-1-amino-2-hydroxyethyl]-2-hydroxybenzonitrile?
The canonical SMILES for 5-[(1R)-1-amino-2-hydroxyethyl]-2-hydroxybenzonitrile is N#Cc1cc([C@@H](N)CO)ccc1O.
What is the InChIKey of 5-[(1R)-1-amino-2-hydroxyethyl]-2-hydroxybenzonitrile?
The InChIKey is HCYNFWVEKXCNLV-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-4-7-3-6(8(11)5-12)1-2-9(7)13/h1-3,8,12-13H,5,11H2/t8-/m0/s1.
What are the key properties of 5-[(1R)-1-amino-2-hydroxyethyl]-2-hydroxybenzonitrile?
5-[(1R)-1-amino-2-hydroxyethyl]-2-hydroxybenzonitrile has a molecular weight of 178.19 g/mol, XLogP of 0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-amino-2-hydroxyethyl]-2-hydroxybenzonitrile is sourced from PubChem (CID 66513587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).