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

C10H14N2O3 — CID 170875667

IUPAC3-amino-3-(2-hydroxy-4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(N)CC(N)=O)c(O)c1
InChIInChI=1S/C10H14N2O3/c1-15-6-2-3-7(9(13)4-6)8(11)5-10(12)14/h2-4,8,13H,5,11H2,1H3,(H2,12,14)
InChIKeyNWRSWQCYYBFYFQ-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.28
Rot. Bonds4

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

3-amino-3-(2-hydroxy-4-methoxyphenyl)propanamide (PubChem CID 170875667) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-amino-3-(2-hydroxy-4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-3-(2-hydroxy-4-methoxyphenyl)propanamide
PubChem CID170875667
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-amino-3-(2-hydroxy-4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(N)CC(N)=O)c(O)c1
InChIInChI=1S/C10H14N2O3/c1-15-6-2-3-7(9(13)4-6)8(11)5-10(12)14/h2-4,8,13H,5,11H2,1H3,(H2,12,14)
InChIKeyNWRSWQCYYBFYFQ-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

3-amino-3-(2,4-dimethoxyphenyl)propanamide
CID 23366621
2-[(1S)-1-amino-3-methylbut-3-enyl]-5-methoxyphenol
CID 171220210
(3R)-3-amino-3-(6-methoxynaphthalen-2-yl)propanamide
CID 29060145
2,4-bis(2-hydroxy-4-methoxyphenyl)pentan-3-one
CID 151498938
2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide
CID 43200366
2-[(1R)-1-amino-4,4,4-trifluorobutyl]-5-methoxyphenol
CID 171200659
methyl (3S)-3-amino-3-(2,4-dihydroxyphenyl)propanoate
CID 171239593
4-amino-4-(2,4-dimethoxyphenyl)butan-2-one
CID 116940526
2,3-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)propanamide
CID 171868027
methyl (3R)-3-amino-3-(2,4-dihydroxyphenyl)propanoate;hydrochloride
CID 171246307
(3S)-3-amino-3-(3,5-dimethoxyphenyl)propanamide
CID 29059837
(3R)-3-amino-3-(3,5-dimethoxyphenyl)propanamide
CID 29059840

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-hydroxy-4-methoxyphenyl)propanamide?
The IUPAC name of 3-amino-3-(2-hydroxy-4-methoxyphenyl)propanamide (CID 170875667) is 3-amino-3-(2-hydroxy-4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-amino-3-(2-hydroxy-4-methoxyphenyl)propanamide?
The canonical SMILES for 3-amino-3-(2-hydroxy-4-methoxyphenyl)propanamide is COc1ccc(C(N)CC(N)=O)c(O)c1.
What is the InChIKey of 3-amino-3-(2-hydroxy-4-methoxyphenyl)propanamide?
The InChIKey is NWRSWQCYYBFYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-15-6-2-3-7(9(13)4-6)8(11)5-10(12)14/h2-4,8,13H,5,11H2,1H3,(H2,12,14).
What are the key properties of 3-amino-3-(2-hydroxy-4-methoxyphenyl)propanamide?
3-amino-3-(2-hydroxy-4-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-4-methoxyphenyl)propanamide is sourced from PubChem (CID 170875667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).