(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane

C13H21NO2 — CID 143607280

IUPAC(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
SMILESCC.COc1ccc(C[C@@H](N)C(C)=O)cc1
InChIInChI=1S/C11H15NO2.C2H6/c1-8(13)11(12)7-9-3-5-10(14-2)6-4-9;1-2/h3-6,11H,7,12H2,1-2H3;1-2H3/t11-;/m1./s1
InChIKeyGGWBGEVVWKDNKP-RFVHGSKJSA-N
MW223.32 g/mol
LogP2.18
Rot. Bonds4

About (3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane

(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane (PubChem CID 143607280) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane.

Molecular Properties

Compound Name(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
PubChem CID143607280
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
SMILESCC.COc1ccc(C[C@@H](N)C(C)=O)cc1
InChIInChI=1S/C11H15NO2.C2H6/c1-8(13)11(12)7-9-3-5-10(14-2)6-4-9;1-2/h3-6,11H,7,12H2,1-2H3;1-2H3/t11-;/m1./s1
InChIKeyGGWBGEVVWKDNKP-RFVHGSKJSA-N
XLogP2.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one
CID 59660716
2-amino-4-[(4-methoxyphenyl)methyl]pentanedioic acid
CID 53396139
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one;hydrochloride
CID 159787435
(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 14760384
(3S)-3-amino-4-(4-prop-2-enoxyphenyl)butan-2-one
CID 170070468
(2S)-2-amino-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 142904155
(2S)-2-amino-3-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanoic acid
CID 162650291
(3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane
CID 143606958
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
CID 18394844

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane?
The IUPAC name of (3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane (CID 143607280) is (3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane.
What is the SMILES notation for (3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane?
The canonical SMILES for (3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane is CC.COc1ccc(C[C@@H](N)C(C)=O)cc1.
What is the InChIKey of (3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane?
The InChIKey is GGWBGEVVWKDNKP-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H15NO2.C2H6/c1-8(13)11(12)7-9-3-5-10(14-2)6-4-9;1-2/h3-6,11H,7,12H2,1-2H3;1-2H3/t11-;/m1./s1.
What are the key properties of (3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane?
(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane has a molecular weight of 223.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane is sourced from PubChem (CID 143607280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).