1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide

C27H35N3O2 — CID 10071533

IUPAC1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide
SMILESN[C@@H](C(=O)N1CCCC1C(=O)NCC1CCCCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H35N3O2/c28-25(24(21-13-6-2-7-14-21)22-15-8-3-9-16-22)27(32)30-18-10-17-23(30)26(31)29-19-20-11-4-1-5-12-20/h2-3,6-9,13-16,20,23-25H,1,4-5,10-12,17-19,28H2,(H,29,31)/t23?,25-/m1/s1
InChIKeyTUWZVCKUYHWNBJ-XSWBTSGESA-N
MW433.60 g/mol
LogP3.83
Rot. Bonds7

About 1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide

1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide (PubChem CID 10071533) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide
PubChem CID10071533
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide
SMILESN[C@@H](C(=O)N1CCCC1C(=O)NCC1CCCCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H35N3O2/c28-25(24(21-13-6-2-7-14-21)22-15-8-3-9-16-22)27(32)30-18-10-17-23(30)26(31)29-19-20-11-4-1-5-12-20/h2-3,6-9,13-16,20,23-25H,1,4-5,10-12,17-19,28H2,(H,29,31)/t23?,25-/m1/s1
InChIKeyTUWZVCKUYHWNBJ-XSWBTSGESA-N
XLogP3.83
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-aminocyclohexyl)methyl]-1-[(2R)-2-amino-3,3-diphenylpropanoyl]pyrrolidine-2-carboxamide
CID 10411396
methyl (2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]pyrrolidine-2-carboxylate
CID 139928671
(2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-[(5-cyanofuran-2-yl)methyl]pyrrolidine-2-carboxamide
CID 10928356
(2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-[(4-cyanothiophen-2-yl)methyl]pyrrolidine-2-carboxamide
CID 10994161
(2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-[(4-cyano-2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 10885184
(2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-[(4-cyano-3-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 11081181
(2R)-N-(cyclohexylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41144732
(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide
CID 11176463
(2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 94447730
1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide
CID 60953274
(2S)-N-[(4-aminocyclohexyl)methyl]-1-[(3S)-3-phenyl-3-pyridin-2-ylpropanoyl]pyrrolidine-2-carboxamide
CID 10530662
(2S)-N-[(4-aminocyclohexyl)methyl]-1-[(3S)-3-(methanesulfonamido)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 70101228

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide (CID 10071533) is 1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide is N[C@@H](C(=O)N1CCCC1C(=O)NCC1CCCCC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is TUWZVCKUYHWNBJ-XSWBTSGESA-N. The full InChI is InChI=1S/C27H35N3O2/c28-25(24(21-13-6-2-7-14-21)22-15-8-3-9-16-22)27(32)30-18-10-17-23(30)26(31)29-19-20-11-4-1-5-12-20/h2-3,6-9,13-16,20,23-25H,1,4-5,10-12,17-19,28H2,(H,29,31)/t23?,25-/m1/s1.
What are the key properties of 1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide?
1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 433.60 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 10071533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).