(2S)-1-[(2R)-4-(furan-2-ylmethylamino)-2-hydroxy-4-oxobutanoyl]-N-phenylpyrrolidine-2-carboxamide

C20H23N3O5 — CID 70329798

IUPAC(2S)-1-[(2R)-4-(furan-2-ylmethylamino)-2-hydroxy-4-oxobutanoyl]-N-phenylpyrrolidine-2-carboxamide
SMILESO=C(C[C@@H](O)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1)NCc1ccco1
InChIInChI=1S/C20H23N3O5/c24-17(12-18(25)21-13-15-8-5-11-28-15)20(27)23-10-4-9-16(23)19(26)22-14-6-2-1-3-7-14/h1-3,5-8,11,16-17,24H,4,9-10,12-13H2,(H,21,25)(H,22,26)/t16-,17+/m0/s1
InChIKeyITLKYUBVMXHNET-DLBZAZTESA-N
MW385.42 g/mol
LogP1.28
Rot. Bonds7

About (2S)-1-[(2R)-4-(furan-2-ylmethylamino)-2-hydroxy-4-oxobutanoyl]-N-phenylpyrrolidine-2-carboxamide

(2S)-1-[(2R)-4-(furan-2-ylmethylamino)-2-hydroxy-4-oxobutanoyl]-N-phenylpyrrolidine-2-carboxamide (PubChem CID 70329798) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is (2S)-1-[(2R)-4-(furan-2-ylmethylamino)-2-hydroxy-4-oxobutanoyl]-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2R)-4-(furan-2-ylmethylamino)-2-hydroxy-4-oxobutanoyl]-N-phenylpyrrolidine-2-carboxamide
PubChem CID70329798
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name(2S)-1-[(2R)-4-(furan-2-ylmethylamino)-2-hydroxy-4-oxobutanoyl]-N-phenylpyrrolidine-2-carboxamide
SMILESO=C(C[C@@H](O)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1)NCc1ccco1
InChIInChI=1S/C20H23N3O5/c24-17(12-18(25)21-13-15-8-5-11-28-15)20(27)23-10-4-9-16(23)19(26)22-14-6-2-1-3-7-14/h1-3,5-8,11,16-17,24H,4,9-10,12-13H2,(H,21,25)(H,22,26)/t16-,17+/m0/s1
InChIKeyITLKYUBVMXHNET-DLBZAZTESA-N
XLogP1.28
TPSA111.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(furan-2-ylmethyl)-3-hydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 70330321
4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672807
(2S)-1-N-(4-chlorophenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1468967
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
(2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 22809937
tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate
CID 51147296
(3S)-3-N-(furan-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435298
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111035918
(2R)-N-(furan-2-ylmethyl)-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 95148543
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 119032269
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-4-(furan-2-ylmethylamino)-2-hydroxy-4-oxobutanoyl]-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2R)-4-(furan-2-ylmethylamino)-2-hydroxy-4-oxobutanoyl]-N-phenylpyrrolidine-2-carboxamide (CID 70329798) is (2S)-1-[(2R)-4-(furan-2-ylmethylamino)-2-hydroxy-4-oxobutanoyl]-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2R)-4-(furan-2-ylmethylamino)-2-hydroxy-4-oxobutanoyl]-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2R)-4-(furan-2-ylmethylamino)-2-hydroxy-4-oxobutanoyl]-N-phenylpyrrolidine-2-carboxamide is O=C(C[C@@H](O)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1)NCc1ccco1.
What is the InChIKey of (2S)-1-[(2R)-4-(furan-2-ylmethylamino)-2-hydroxy-4-oxobutanoyl]-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is ITLKYUBVMXHNET-DLBZAZTESA-N. The full InChI is InChI=1S/C20H23N3O5/c24-17(12-18(25)21-13-15-8-5-11-28-15)20(27)23-10-4-9-16(23)19(26)22-14-6-2-1-3-7-14/h1-3,5-8,11,16-17,24H,4,9-10,12-13H2,(H,21,25)(H,22,26)/t16-,17+/m0/s1.
What are the key properties of (2S)-1-[(2R)-4-(furan-2-ylmethylamino)-2-hydroxy-4-oxobutanoyl]-N-phenylpyrrolidine-2-carboxamide?
(2S)-1-[(2R)-4-(furan-2-ylmethylamino)-2-hydroxy-4-oxobutanoyl]-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-4-(furan-2-ylmethylamino)-2-hydroxy-4-oxobutanoyl]-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 70329798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).