(3R)-3-amino-3-(3,5-dimethoxyphenyl)propanamide

C11H16N2O3 — CID 29059840

IUPAC(3R)-3-amino-3-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(OC)cc([C@H](N)CC(N)=O)c1
InChIInChI=1S/C11H16N2O3/c1-15-8-3-7(4-9(5-8)16-2)10(12)6-11(13)14/h3-5,10H,6,12H2,1-2H3,(H2,13,14)/t10-/m1/s1
InChIKeyNTZBBRJTNYAWFF-SNVBAGLBSA-N
MW224.26 g/mol
LogP0.58
Rot. Bonds5

About (3R)-3-amino-3-(3,5-dimethoxyphenyl)propanamide

(3R)-3-amino-3-(3,5-dimethoxyphenyl)propanamide (PubChem CID 29059840) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is (3R)-3-amino-3-(3,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name(3R)-3-amino-3-(3,5-dimethoxyphenyl)propanamide
PubChem CID29059840
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name(3R)-3-amino-3-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(OC)cc([C@H](N)CC(N)=O)c1
InChIInChI=1S/C11H16N2O3/c1-15-8-3-7(4-9(5-8)16-2)10(12)6-11(13)14/h3-5,10H,6,12H2,1-2H3,(H2,13,14)/t10-/m1/s1
InChIKeyNTZBBRJTNYAWFF-SNVBAGLBSA-N
XLogP0.58
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-amino-3-(3,5-dimethoxyphenyl)propanamide
CID 29059837
3-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride
CID 155888018
(3R)-3-amino-3-(6-methoxynaphthalen-2-yl)propanamide
CID 29060145
3-amino-3-(3-chloro-5-methoxyphenyl)propanoic acid;hydrochloride
CID 122714136
[(2S)-2-(3,5-dimethoxyphenyl)propyl] carbamate
CID 146173874
1,3,5-trimethoxybenzene;urea
CID 174919725
3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
CID 170875716
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 116850956
3-amino-3-(2-hydroxy-4-methoxyphenyl)propanamide
CID 170875667
3-amino-3-(2,4-dimethoxyphenyl)propanamide
CID 23366621
3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 65096717
3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide
CID 116850930

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3,5-dimethoxyphenyl)propanamide?
The IUPAC name of (3R)-3-amino-3-(3,5-dimethoxyphenyl)propanamide (CID 29059840) is (3R)-3-amino-3-(3,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for (3R)-3-amino-3-(3,5-dimethoxyphenyl)propanamide?
The canonical SMILES for (3R)-3-amino-3-(3,5-dimethoxyphenyl)propanamide is COc1cc(OC)cc([C@H](N)CC(N)=O)c1.
What is the InChIKey of (3R)-3-amino-3-(3,5-dimethoxyphenyl)propanamide?
The InChIKey is NTZBBRJTNYAWFF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-15-8-3-7(4-9(5-8)16-2)10(12)6-11(13)14/h3-5,10H,6,12H2,1-2H3,(H2,13,14)/t10-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3,5-dimethoxyphenyl)propanamide?
(3R)-3-amino-3-(3,5-dimethoxyphenyl)propanamide has a molecular weight of 224.26 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 29059840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).