2-amino-3-(4-hydroxy-3-methylphenyl)propanamide

C10H14N2O2 — CID 90701123

IUPAC2-amino-3-(4-hydroxy-3-methylphenyl)propanamide
SMILESCc1cc(CC(N)C(N)=O)ccc1O
InChIInChI=1S/C10H14N2O2/c1-6-4-7(2-3-9(6)13)5-8(11)10(12)14/h2-4,8,13H,5,11H2,1H3,(H2,12,14)
InChIKeyPKCKKXFOGOADQX-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.06
Rot. Bonds3

About 2-amino-3-(4-hydroxy-3-methylphenyl)propanamide

2-amino-3-(4-hydroxy-3-methylphenyl)propanamide (PubChem CID 90701123) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxy-3-methylphenyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-hydroxy-3-methylphenyl)propanamide
PubChem CID90701123
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-amino-3-(4-hydroxy-3-methylphenyl)propanamide
SMILESCc1cc(CC(N)C(N)=O)ccc1O
InChIInChI=1S/C10H14N2O2/c1-6-4-7(2-3-9(6)13)5-8(11)10(12)14/h2-4,8,13H,5,11H2,1H3,(H2,12,14)
InChIKeyPKCKKXFOGOADQX-UHFFFAOYSA-N
XLogP0.06
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-(3,4-dihydroxyphenyl)propanamide
CID 14274714
4-(4-hydroxy-3-methylphenyl)-3-methylbutan-2-one
CID 58867976
2-amino-3-(4-methylphenyl)propanamide
CID 18981163
5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one
CID 83922980
4-(2-amino-4-methylpentyl)-2-methylphenol
CID 178163187
(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
(2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104905420
2-amino-3-(3,4-dimethoxyphenyl)propanamide
CID 14132751
2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide
CID 174991066
(2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid
CID 56845605
2-amino-3-(4-hydroxy-3-methylphenyl)propanenitrile;ethane
CID 142227423
2-amino-3-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 116850890

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxy-3-methylphenyl)propanamide?
The IUPAC name of 2-amino-3-(4-hydroxy-3-methylphenyl)propanamide (CID 90701123) is 2-amino-3-(4-hydroxy-3-methylphenyl)propanamide.
What is the SMILES notation for 2-amino-3-(4-hydroxy-3-methylphenyl)propanamide?
The canonical SMILES for 2-amino-3-(4-hydroxy-3-methylphenyl)propanamide is Cc1cc(CC(N)C(N)=O)ccc1O.
What is the InChIKey of 2-amino-3-(4-hydroxy-3-methylphenyl)propanamide?
The InChIKey is PKCKKXFOGOADQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-4-7(2-3-9(6)13)5-8(11)10(12)14/h2-4,8,13H,5,11H2,1H3,(H2,12,14).
What are the key properties of 2-amino-3-(4-hydroxy-3-methylphenyl)propanamide?
2-amino-3-(4-hydroxy-3-methylphenyl)propanamide has a molecular weight of 194.23 g/mol, XLogP of 0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxy-3-methylphenyl)propanamide is sourced from PubChem (CID 90701123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).