(2S)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide

C16H24N2O4 — CID 124735118

IUPAC(2S)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
SMILESCCOc1ccc(OC[C@@H](O)CN2CCC[C@H]2C(N)=O)cc1
InChIInChI=1S/C16H24N2O4/c1-2-21-13-5-7-14(8-6-13)22-11-12(19)10-18-9-3-4-15(18)16(17)20/h5-8,12,15,19H,2-4,9-11H2,1H3,(H2,17,20)/t12-,15-/m0/s1
InChIKeyNBLFXQPBUVNTGB-WFASDCNBSA-N
MW308.38 g/mol
LogP0.77
Rot. Bonds8

About (2S)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide

(2S)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide (PubChem CID 124735118) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2S)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
PubChem CID124735118
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name(2S)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
SMILESCCOc1ccc(OC[C@@H](O)CN2CCC[C@H]2C(N)=O)cc1
InChIInChI=1S/C16H24N2O4/c1-2-21-13-5-7-14(8-6-13)22-11-12(19)10-18-9-3-4-15(18)16(17)20/h5-8,12,15,19H,2-4,9-11H2,1H3,(H2,17,20)/t12-,15-/m0/s1
InChIKeyNBLFXQPBUVNTGB-WFASDCNBSA-N
XLogP0.77
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-hydroxy-3-(4-methylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 110882119
1-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 75402215
1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide
CID 111102933
ethyl 4-(2-carbamoylpyrrolidin-1-yl)-3-hydroxybutanoate
CID 82775121
(2S)-1-[(2S)-2-hydroxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrrolidine-2-carboxamide
CID 124784992
(2S)-1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidine-2-carboxamide
CID 25444668
1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol
CID 3125455
1-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide
CID 6926891
(2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 93049136
(2R)-2-hydroxy-2-[1-[(2R)-2-hydroxy-3-phenoxypropyl]piperidin-4-yl]acetamide
CID 129490089
1-(4-ethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol
CID 3395732
(2R)-1-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-3-(4-ethoxyphenoxy)propan-2-ol
CID 124738646

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide (CID 124735118) is (2S)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide is CCOc1ccc(OC[C@@H](O)CN2CCC[C@H]2C(N)=O)cc1.
What is the InChIKey of (2S)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide?
The InChIKey is NBLFXQPBUVNTGB-WFASDCNBSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-2-21-13-5-7-14(8-6-13)22-11-12(19)10-18-9-3-4-15(18)16(17)20/h5-8,12,15,19H,2-4,9-11H2,1H3,(H2,17,20)/t12-,15-/m0/s1.
What are the key properties of (2S)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 124735118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).