5-(2-aminoacetyl)-2-hydroxy-3-methoxybenzonitrile

C10H10N2O3 — CID 117294522

IUPAC5-(2-aminoacetyl)-2-hydroxy-3-methoxybenzonitrile
SMILESCOc1cc(C(=O)CN)cc(C#N)c1O
InChIInChI=1S/C10H10N2O3/c1-15-9-3-6(8(13)5-12)2-7(4-11)10(9)14/h2-3,14H,5,12H2,1H3
InChIKeyUVXQLKAHTYESNC-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.41
Rot. Bonds3

About 5-(2-aminoacetyl)-2-hydroxy-3-methoxybenzonitrile

5-(2-aminoacetyl)-2-hydroxy-3-methoxybenzonitrile (PubChem CID 117294522) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5-(2-aminoacetyl)-2-hydroxy-3-methoxybenzonitrile.

Molecular Properties

Compound Name5-(2-aminoacetyl)-2-hydroxy-3-methoxybenzonitrile
PubChem CID117294522
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name5-(2-aminoacetyl)-2-hydroxy-3-methoxybenzonitrile
SMILESCOc1cc(C(=O)CN)cc(C#N)c1O
InChIInChI=1S/C10H10N2O3/c1-15-9-3-6(8(13)5-12)2-7(4-11)10(9)14/h2-3,14H,5,12H2,1H3
InChIKeyUVXQLKAHTYESNC-UHFFFAOYSA-N
XLogP0.41
TPSA96.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-bromoacetyl)-2-hydroxy-3-methoxybenzonitrile
CID 171021227
ethyl 3-cyano-4-hydroxy-5-methoxybenzoate
CID 134644106
5-(aminomethyl)-2-hydroxy-3-methoxybenzonitrile
CID 117277708
3-(2-aminoacetyl)-4-hydroxy-5-methoxybenzonitrile
CID 117294523
2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride
CID 22281599
3-amino-2-(3-cyano-4-hydroxy-5-methoxyphenyl)propanoic acid
CID 117344384
2-(3-cyano-4-hydroxy-5-methoxyphenyl)acetic acid
CID 117295414
2-amino-1-(3-methoxy-4,5-dimethylphenyl)ethanone
CID 117283793
5-(2-aminoacetyl)-2,3-dimethylbenzonitrile
CID 117281105
5-formyl-2-hydroxy-3-methoxybenzonitrile
CID 18359065
5-(2-aminoacetyl)-2-hydroxybenzonitrile
CID 84767083
5-tert-butyl-2-hydroxy-3-methoxybenzonitrile
CID 117293587

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoacetyl)-2-hydroxy-3-methoxybenzonitrile?
The IUPAC name of 5-(2-aminoacetyl)-2-hydroxy-3-methoxybenzonitrile (CID 117294522) is 5-(2-aminoacetyl)-2-hydroxy-3-methoxybenzonitrile.
What is the SMILES notation for 5-(2-aminoacetyl)-2-hydroxy-3-methoxybenzonitrile?
The canonical SMILES for 5-(2-aminoacetyl)-2-hydroxy-3-methoxybenzonitrile is COc1cc(C(=O)CN)cc(C#N)c1O.
What is the InChIKey of 5-(2-aminoacetyl)-2-hydroxy-3-methoxybenzonitrile?
The InChIKey is UVXQLKAHTYESNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-15-9-3-6(8(13)5-12)2-7(4-11)10(9)14/h2-3,14H,5,12H2,1H3.
What are the key properties of 5-(2-aminoacetyl)-2-hydroxy-3-methoxybenzonitrile?
5-(2-aminoacetyl)-2-hydroxy-3-methoxybenzonitrile has a molecular weight of 206.20 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoacetyl)-2-hydroxy-3-methoxybenzonitrile is sourced from PubChem (CID 117294522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).