(3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

C17H26N2O — CID 174863774

IUPAC(3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESCC(C)CN1CC[C@H](C(=O)N[C@H](C)c2ccccc2)C1
InChIInChI=1S/C17H26N2O/c1-13(2)11-19-10-9-16(12-19)17(20)18-14(3)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3,(H,18,20)/t14-,16+/m1/s1
InChIKeyMOUGRSRFHLVTTB-ZBFHGGJFSA-N
MW274.41 g/mol
LogP2.84
Rot. Bonds5

About (3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

(3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (PubChem CID 174863774) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
PubChem CID174863774
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESCC(C)CN1CC[C@H](C(=O)N[C@H](C)c2ccccc2)C1
InChIInChI=1S/C17H26N2O/c1-13(2)11-19-10-9-16(12-19)17(20)18-14(3)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3,(H,18,20)/t14-,16+/m1/s1
InChIKeyMOUGRSRFHLVTTB-ZBFHGGJFSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[1-(2-methylpropyl)pyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119367932
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
1-[(4-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 2187102
1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113182040
1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004076
(3R)-1-[(2S)-2-phenylpropyl]pyrrolidine-3-carboxylic acid
CID 129413679
1-[(4-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 51361840
1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004094
ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
CID 46798149
1-acetyl-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 46041424
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263
1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 1343521

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (CID 174863774) is (3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is CC(C)CN1CC[C@H](C(=O)N[C@H](C)c2ccccc2)C1.
What is the InChIKey of (3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The InChIKey is MOUGRSRFHLVTTB-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)11-19-10-9-16(12-19)17(20)18-14(3)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3,(H,18,20)/t14-,16+/m1/s1.
What are the key properties of (3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
(3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 174863774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).