(2S,4S)-4-amino-1-(5-methyl-2-phenylfuran-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide

C20H25N3O3 — CID 56718069

IUPAC(2S,4S)-4-amino-1-(5-methyl-2-phenylfuran-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1cc(C(=O)N2C[C@@H](N)C[C@H]2C(=O)NC(C)C)c(-c2ccccc2)o1
InChIInChI=1S/C20H25N3O3/c1-12(2)22-19(24)17-10-15(21)11-23(17)20(25)16-9-13(3)26-18(16)14-7-5-4-6-8-14/h4-9,12,15,17H,10-11,21H2,1-3H3,(H,22,24)/t15-,17-/m0/s1
InChIKeyMMFOAUMFCHSXJQ-RDJZCZTQSA-N
MW355.44 g/mol
LogP2.32
Rot. Bonds4

About (2S,4S)-4-amino-1-(5-methyl-2-phenylfuran-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide

(2S,4S)-4-amino-1-(5-methyl-2-phenylfuran-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 56718069) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (2S,4S)-4-amino-1-(5-methyl-2-phenylfuran-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-1-(5-methyl-2-phenylfuran-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID56718069
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(2S,4S)-4-amino-1-(5-methyl-2-phenylfuran-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1cc(C(=O)N2C[C@@H](N)C[C@H]2C(=O)NC(C)C)c(-c2ccccc2)o1
InChIInChI=1S/C20H25N3O3/c1-12(2)22-19(24)17-10-15(21)11-23(17)20(25)16-9-13(3)26-18(16)14-7-5-4-6-8-14/h4-9,12,15,17H,10-11,21H2,1-3H3,(H,22,24)/t15-,17-/m0/s1
InChIKeyMMFOAUMFCHSXJQ-RDJZCZTQSA-N
XLogP2.32
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-amino-1-(5-methyl-4-phenylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56713782
(2S,4S)-4-amino-1-(4-methyl-5-phenylthiophene-2-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56712307
(2S,4R)-4-amino-1-(3,4-dimethylbenzoyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56713460
(2S,4R)-4-amino-1-(6-oxo-1H-pyridine-2-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56704258
(2S,4S)-4-amino-1-(1-methylindazole-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56713767
(2S,4S)-4-amino-1-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56713832
(2S,4S)-4-amino-N-propan-2-yl-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxamide
CID 56712494
(2S,4R)-4-amino-1-[3-(2-methoxyphenyl)propanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56716009
(2S,4R)-4-amino-1-(3-benzylsulfanylpropanoyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 70745968
(2S,4S)-4-amino-N-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
CID 56707392
(2S,4S)-4-amino-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56704892
(2S,4R)-4-amino-N-methyl-1-[2-(4-methylbenzoyl)benzoyl]pyrrolidine-2-carboxamide
CID 56717984

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-1-(5-methyl-2-phenylfuran-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-1-(5-methyl-2-phenylfuran-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide (CID 56718069) is (2S,4S)-4-amino-1-(5-methyl-2-phenylfuran-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-1-(5-methyl-2-phenylfuran-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-1-(5-methyl-2-phenylfuran-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide is Cc1cc(C(=O)N2C[C@@H](N)C[C@H]2C(=O)NC(C)C)c(-c2ccccc2)o1.
What is the InChIKey of (2S,4S)-4-amino-1-(5-methyl-2-phenylfuran-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is MMFOAUMFCHSXJQ-RDJZCZTQSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-12(2)22-19(24)17-10-15(21)11-23(17)20(25)16-9-13(3)26-18(16)14-7-5-4-6-8-14/h4-9,12,15,17H,10-11,21H2,1-3H3,(H,22,24)/t15-,17-/m0/s1.
What are the key properties of (2S,4S)-4-amino-1-(5-methyl-2-phenylfuran-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S,4S)-4-amino-1-(5-methyl-2-phenylfuran-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-1-(5-methyl-2-phenylfuran-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56718069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).