3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide

C10H14N2O3 — CID 170875664

IUPAC3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide
SMILESCOc1cccc(C(N)CC(N)=O)c1O
InChIInChI=1S/C10H14N2O3/c1-15-8-4-2-3-6(10(8)14)7(11)5-9(12)13/h2-4,7,14H,5,11H2,1H3,(H2,12,13)
InChIKeyRYGBRSRIDOSVPR-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.28
Rot. Bonds4

About 3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide

3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide (PubChem CID 170875664) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide
PubChem CID170875664
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide
SMILESCOc1cccc(C(N)CC(N)=O)c1O
InChIInChI=1S/C10H14N2O3/c1-15-8-4-2-3-6(10(8)14)7(11)5-9(12)13/h2-4,7,14H,5,11H2,1H3,(H2,12,13)
InChIKeyRYGBRSRIDOSVPR-UHFFFAOYSA-N
XLogP0.28
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

ethyl (3R)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanoate
CID 171212314
methyl (3S)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanoate;hydrochloride
CID 171243705
3-amino-3-(2,3-dimethoxyphenyl)propanamide
CID 43147937
3-amino-3-[2-hydroxy-3-(trifluoromethoxy)phenyl]propanamide
CID 170876399
3,4-dihydroxy-4-(2-hydroxy-3-methoxyphenyl)butanamide
CID 171899043
2-[(1R)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171231915
2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171212313
2-[(1R)-1-aminobutyl]-6-methoxyphenol
CID 171212277
2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride
CID 171231919
3-(2-methoxyphenyl)pentanediamide
CID 20546356
ethyl (3R)-3-amino-2-fluoro-3-(2-hydroxy-3-methoxyphenyl)propanoate
CID 171243721
(3S)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanenitrile;hydrochloride
CID 171260133

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide?
The IUPAC name of 3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide (CID 170875664) is 3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide?
The canonical SMILES for 3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide is COc1cccc(C(N)CC(N)=O)c1O.
What is the InChIKey of 3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide?
The InChIKey is RYGBRSRIDOSVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-15-8-4-2-3-6(10(8)14)7(11)5-9(12)13/h2-4,7,14H,5,11H2,1H3,(H2,12,13).
What are the key properties of 3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide?
3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide has a molecular weight of 210.23 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide is sourced from PubChem (CID 170875664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).