(2R)-2-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one

C16H24N2O2 — CID 104905485

IUPAC(2R)-2-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one
SMILESCCC1CCC(C)N1C(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C16H24N2O2/c1-3-13-7-4-11(2)18(13)16(20)15(17)10-12-5-8-14(19)9-6-12/h5-6,8-9,11,13,15,19H,3-4,7,10,17H2,1-2H3/t11?,13?,15-/m1/s1
InChIKeyWDVNAOIHSYFUFW-ABIUDSBCSA-N
MW276.38 g/mol
LogP2.05
Rot. Bonds4

About (2R)-2-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one

(2R)-2-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one (PubChem CID 104905485) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2R)-2-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one
PubChem CID104905485
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2R)-2-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one
SMILESCCC1CCC(C)N1C(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C16H24N2O2/c1-3-13-7-4-11(2)18(13)16(20)15(17)10-12-5-8-14(19)9-6-12/h5-6,8-9,11,13,15,19H,3-4,7,10,17H2,1-2H3/t11?,13?,15-/m1/s1
InChIKeyWDVNAOIHSYFUFW-ABIUDSBCSA-N
XLogP2.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(2,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 104905282
2-amino-3-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 76891872
(2R)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 104905205
2-amino-3-(4-hydroxyphenyl)-1-(2-methylazepan-1-yl)propan-1-one
CID 77020980
(2S)-2-amino-1-(3,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148000
(2R)-2-amino-1-(4-ethylazepan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 104905212
3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791116
(2S)-2-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 104958580
2-amino-3-(4-hydroxyphenyl)-1-(4-propylpiperidin-1-yl)propan-1-one
CID 76937313
(2S)-2-amino-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 107220612
(2R)-2-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 102780518
1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102780238

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one (CID 104905485) is (2R)-2-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one is CCC1CCC(C)N1C(=O)[C@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2R)-2-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one?
The InChIKey is WDVNAOIHSYFUFW-ABIUDSBCSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-13-7-4-11(2)18(13)16(20)15(17)10-12-5-8-14(19)9-6-12/h5-6,8-9,11,13,15,19H,3-4,7,10,17H2,1-2H3/t11?,13?,15-/m1/s1.
What are the key properties of (2R)-2-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one?
(2R)-2-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 104905485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).