(2S,4R)-N-ethyl-4-[[2-(4-hydroxyphenyl)acetyl]amino]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide

C19H25N5O3 — CID 72880480

IUPAC(2S,4R)-N-ethyl-4-[[2-(4-hydroxyphenyl)acetyl]amino]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](NC(=O)Cc2ccc(O)cc2)CN1Cc1ncc[nH]1
InChIInChI=1S/C19H25N5O3/c1-2-20-19(27)16-10-14(11-24(16)12-17-21-7-8-22-17)23-18(26)9-13-3-5-15(25)6-4-13/h3-8,14,16,25H,2,9-12H2,1H3,(H,20,27)(H,21,22)(H,23,26)/t14-,16+/m1/s1
InChIKeyGQSZHCZIWMIMAL-ZBFHGGJFSA-N
MW371.44 g/mol
LogP0.55
Rot. Bonds7

About (2S,4R)-N-ethyl-4-[[2-(4-hydroxyphenyl)acetyl]amino]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide

(2S,4R)-N-ethyl-4-[[2-(4-hydroxyphenyl)acetyl]amino]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 72880480) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (2S,4R)-N-ethyl-4-[[2-(4-hydroxyphenyl)acetyl]amino]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-ethyl-4-[[2-(4-hydroxyphenyl)acetyl]amino]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID72880480
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name(2S,4R)-N-ethyl-4-[[2-(4-hydroxyphenyl)acetyl]amino]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](NC(=O)Cc2ccc(O)cc2)CN1Cc1ncc[nH]1
InChIInChI=1S/C19H25N5O3/c1-2-20-19(27)16-10-14(11-24(16)12-17-21-7-8-22-17)23-18(26)9-13-3-5-15(25)6-4-13/h3-8,14,16,25H,2,9-12H2,1H3,(H,20,27)(H,21,22)(H,23,26)/t14-,16+/m1/s1
InChIKeyGQSZHCZIWMIMAL-ZBFHGGJFSA-N
XLogP0.55
TPSA110.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,5S)-5-(ethylcarbamoyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 72890602
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 72852892
N-[(3R,5S)-1-[(2-amino-3-pyridinyl)methyl]-5-(ethylcarbamoyl)pyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 72902303
(2S,4R)-1-[(2-amino-3-pyridinyl)methyl]-N-ethyl-4-[(2-propan-2-yloxyacetyl)amino]pyrrolidine-2-carboxamide
CID 72864213
N-[(3R,5S)-5-(ethylcarbamoyl)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 72868430
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(2-propan-2-ylsulfanylethyl)pyrrolidin-3-yl]-1H-imidazole-2-carboxamide
CID 72911113
(2S,4S)-N-ethyl-4-[(2-hydroxyacetyl)amino]-1-[(6-methylquinolin-5-yl)methyl]pyrrolidine-2-carboxamide
CID 72847976
(2S,4S)-4-(cyclobutanecarbonylamino)-N-ethyl-1-(1H-indol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 72932254
(2S,4S)-N-ethyl-1-[(2-fluorophenyl)methyl]-4-[(2-methylsulfanylacetyl)amino]pyrrolidine-2-carboxamide
CID 72838677
(2S,4S)-1-[(3,5-dimethylphenyl)methyl]-N-ethyl-4-[[(E)-hex-3-enoyl]amino]pyrrolidine-2-carboxamide
CID 72902813
N-[(3R,5S)-5-(ethylcarbamoyl)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 72865561
(2S,4S)-N-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(propanoylamino)pyrrolidine-2-carboxamide
CID 72925389

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-ethyl-4-[[2-(4-hydroxyphenyl)acetyl]amino]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-ethyl-4-[[2-(4-hydroxyphenyl)acetyl]amino]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide (CID 72880480) is (2S,4R)-N-ethyl-4-[[2-(4-hydroxyphenyl)acetyl]amino]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-ethyl-4-[[2-(4-hydroxyphenyl)acetyl]amino]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-ethyl-4-[[2-(4-hydroxyphenyl)acetyl]amino]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@@H](NC(=O)Cc2ccc(O)cc2)CN1Cc1ncc[nH]1.
What is the InChIKey of (2S,4R)-N-ethyl-4-[[2-(4-hydroxyphenyl)acetyl]amino]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is GQSZHCZIWMIMAL-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-2-20-19(27)16-10-14(11-24(16)12-17-21-7-8-22-17)23-18(26)9-13-3-5-15(25)6-4-13/h3-8,14,16,25H,2,9-12H2,1H3,(H,20,27)(H,21,22)(H,23,26)/t14-,16+/m1/s1.
What are the key properties of (2S,4R)-N-ethyl-4-[[2-(4-hydroxyphenyl)acetyl]amino]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide?
(2S,4R)-N-ethyl-4-[[2-(4-hydroxyphenyl)acetyl]amino]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 0.55, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-ethyl-4-[[2-(4-hydroxyphenyl)acetyl]amino]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 72880480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).