(2S,4R)-1-[4-(aminomethyl)-5-(2-methylpropyl)furan-2-carbonyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide

C30H35N3O3 — CID 67386083

IUPAC(2S,4R)-1-[4-(aminomethyl)-5-(2-methylpropyl)furan-2-carbonyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide
SMILESCC(C)Cc1oc(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C(=O)N[C@@H]2CCc3ccccc32)cc1CN
InChIInChI=1S/C30H35N3O3/c1-19(2)14-27-22(17-31)16-28(36-27)30(35)33-18-23(20-8-4-3-5-9-20)15-26(33)29(34)32-25-13-12-21-10-6-7-11-24(21)25/h3-11,16,19,23,25-26H,12-15,17-18,31H2,1-2H3,(H,32,34)/t23-,25+,26-/m0/s1
InChIKeyJHWHPMGVGCILQL-DMDYGQEQSA-N
MW485.63 g/mol
LogP4.74
Rot. Bonds7

About (2S,4R)-1-[4-(aminomethyl)-5-(2-methylpropyl)furan-2-carbonyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide

(2S,4R)-1-[4-(aminomethyl)-5-(2-methylpropyl)furan-2-carbonyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide (PubChem CID 67386083) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is (2S,4R)-1-[4-(aminomethyl)-5-(2-methylpropyl)furan-2-carbonyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-[4-(aminomethyl)-5-(2-methylpropyl)furan-2-carbonyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide
PubChem CID67386083
Molecular FormulaC30H35N3O3
Molecular Weight485.63 g/mol
Exact Mass485.27
IUPAC Name(2S,4R)-1-[4-(aminomethyl)-5-(2-methylpropyl)furan-2-carbonyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide
SMILESCC(C)Cc1oc(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C(=O)N[C@@H]2CCc3ccccc32)cc1CN
InChIInChI=1S/C30H35N3O3/c1-19(2)14-27-22(17-31)16-28(36-27)30(35)33-18-23(20-8-4-3-5-9-20)15-26(33)29(34)32-25-13-12-21-10-6-7-11-24(21)25/h3-11,16,19,23,25-26H,12-15,17-18,31H2,1-2H3,(H,32,34)/t23-,25+,26-/m0/s1
InChIKeyJHWHPMGVGCILQL-DMDYGQEQSA-N
XLogP4.74
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(aminomethyl)-5-(2-methylpropyl)furan-2-carbonyl]-N-(2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidine-2-carboxamide
CID 67176167
(2S,4R)-1-[4-(1-aminoethyl)-5-methylfuran-2-carbonyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide
CID 67176583
1-[3-(1-aminoethyl)benzoyl]-N-(2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidine-2-carboxamide
CID 67176089
(2S,4R)-1-(2,8-diazaspiro[4.5]decane-3-carbonyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide
CID 140568127
1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(3-carbamoylphenyl)propanoyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-phenylazetidine-3-carboxamide
CID 58436663
1-(2-amino-3,3-dimethylbutanoyl)-4-[4-[2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide
CID 123225327
benzyl (2S,4S)-4-hydroxy-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 59415505
[(2S,4R)-1-[5-[1-(methylamino)ethyl]furan-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 67175286
(2S)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide
CID 61156315
2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974624
(2S,4R)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoyl]-4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 148760681
(2S,4S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-fluoro-1-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]pyrrolidine-2-carboxamide
CID 58682184

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[4-(aminomethyl)-5-(2-methylpropyl)furan-2-carbonyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-[4-(aminomethyl)-5-(2-methylpropyl)furan-2-carbonyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide (CID 67386083) is (2S,4R)-1-[4-(aminomethyl)-5-(2-methylpropyl)furan-2-carbonyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-[4-(aminomethyl)-5-(2-methylpropyl)furan-2-carbonyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-[4-(aminomethyl)-5-(2-methylpropyl)furan-2-carbonyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide is CC(C)Cc1oc(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C(=O)N[C@@H]2CCc3ccccc32)cc1CN.
What is the InChIKey of (2S,4R)-1-[4-(aminomethyl)-5-(2-methylpropyl)furan-2-carbonyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide?
The InChIKey is JHWHPMGVGCILQL-DMDYGQEQSA-N. The full InChI is InChI=1S/C30H35N3O3/c1-19(2)14-27-22(17-31)16-28(36-27)30(35)33-18-23(20-8-4-3-5-9-20)15-26(33)29(34)32-25-13-12-21-10-6-7-11-24(21)25/h3-11,16,19,23,25-26H,12-15,17-18,31H2,1-2H3,(H,32,34)/t23-,25+,26-/m0/s1.
What are the key properties of (2S,4R)-1-[4-(aminomethyl)-5-(2-methylpropyl)furan-2-carbonyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide?
(2S,4R)-1-[4-(aminomethyl)-5-(2-methylpropyl)furan-2-carbonyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide has a molecular weight of 485.63 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[4-(aminomethyl)-5-(2-methylpropyl)furan-2-carbonyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 67386083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).