(2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one

C14H20N2O3 — CID 54322087

IUPAC(2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(C[C@H](N)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H20N2O3/c1-18-12-4-2-11(3-5-12)10-13(15)14(17)16-6-8-19-9-7-16/h2-5,13H,6-10,15H2,1H3/t13-/m0/s1
InChIKeySSJDLHXMKXBTLO-ZDUSSCGKSA-N
MW264.32 g/mol
LogP0.42
Rot. Bonds4

About (2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one

(2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one (PubChem CID 54322087) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
PubChem CID54322087
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(C[C@H](N)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H20N2O3/c1-18-12-4-2-11(3-5-12)10-13(15)14(17)16-6-8-19-9-7-16/h2-5,13H,6-10,15H2,1H3/t13-/m0/s1
InChIKeySSJDLHXMKXBTLO-ZDUSSCGKSA-N
XLogP0.42
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 142904155
4-[4-(2-amino-3-morpholin-4-yl-3-oxopropyl)phenoxy]benzamide
CID 25007040
(2S)-2-amino-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 22689945
2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119295495
(2R)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid
CID 146352445
(2S)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid
CID 141006168
(2S)-1-[(2R)-2-amino-3-(4-methoxyphenyl)propanoyl]azetidine-2-carboxylic acid
CID 22958434
2-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylethanone
CID 56784565
2-(4-methoxyphenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]acetamide
CID 110285557
(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
CID 143607280
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one (CID 54322087) is (2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one is COc1ccc(C[C@H](N)C(=O)N2CCOCC2)cc1.
What is the InChIKey of (2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is SSJDLHXMKXBTLO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-12-4-2-11(3-5-12)10-13(15)14(17)16-6-8-19-9-7-16/h2-5,13H,6-10,15H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one?
(2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 264.32 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 54322087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).