(2S,4S)-4-amino-N-ethyl-1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carboxamide

C20H23N3O3 — CID 56722117

IUPAC(2S,4S)-4-amino-N-ethyl-1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cccc(-c2ccc(O)cc2)c1
InChIInChI=1S/C20H23N3O3/c1-2-22-19(25)18-11-16(21)12-23(18)20(26)15-5-3-4-14(10-15)13-6-8-17(24)9-7-13/h3-10,16,18,24H,2,11-12,21H2,1H3,(H,22,25)/t16-,18-/m0/s1
InChIKeyIATWZQAVCGLJHL-WMZOPIPTSA-N
MW353.42 g/mol
LogP1.74
Rot. Bonds4

About (2S,4S)-4-amino-N-ethyl-1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N-ethyl-1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carboxamide (PubChem CID 56722117) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (2S,4S)-4-amino-N-ethyl-1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N-ethyl-1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carboxamide
PubChem CID56722117
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(2S,4S)-4-amino-N-ethyl-1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cccc(-c2ccc(O)cc2)c1
InChIInChI=1S/C20H23N3O3/c1-2-22-19(25)18-11-16(21)12-23(18)20(26)15-5-3-4-14(10-15)13-6-8-17(24)9-7-13/h3-10,16,18,24H,2,11-12,21H2,1H3,(H,22,25)/t16-,18-/m0/s1
InChIKeyIATWZQAVCGLJHL-WMZOPIPTSA-N
XLogP1.74
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N-ethyl-1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N-ethyl-1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carboxamide (CID 56722117) is (2S,4S)-4-amino-N-ethyl-1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N-ethyl-1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N-ethyl-1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cccc(-c2ccc(O)cc2)c1.
What is the InChIKey of (2S,4S)-4-amino-N-ethyl-1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is IATWZQAVCGLJHL-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-2-22-19(25)18-11-16(21)12-23(18)20(26)15-5-3-4-14(10-15)13-6-8-17(24)9-7-13/h3-10,16,18,24H,2,11-12,21H2,1H3,(H,22,25)/t16-,18-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N-ethyl-1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N-ethyl-1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N-ethyl-1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56722117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).