(3S)-1-N-[(2R)-3-methyl-3-phenylbutan-2-yl]pyrrolidine-1,3-dicarboxamide

C17H25N3O2 — CID 95310200

IUPAC(3S)-1-N-[(2R)-3-methyl-3-phenylbutan-2-yl]pyrrolidine-1,3-dicarboxamide
SMILESC[C@@H](NC(=O)N1CC[C@H](C(N)=O)C1)C(C)(C)c1ccccc1
InChIInChI=1S/C17H25N3O2/c1-12(17(2,3)14-7-5-4-6-8-14)19-16(22)20-10-9-13(11-20)15(18)21/h4-8,12-13H,9-11H2,1-3H3,(H2,18,21)(H,19,22)/t12-,13+/m1/s1
InChIKeyQTQYMTPLEOKWMT-OLZOCXBDSA-N
MW303.41 g/mol
LogP1.87
Rot. Bonds4

About (3S)-1-N-[(2R)-3-methyl-3-phenylbutan-2-yl]pyrrolidine-1,3-dicarboxamide

(3S)-1-N-[(2R)-3-methyl-3-phenylbutan-2-yl]pyrrolidine-1,3-dicarboxamide (PubChem CID 95310200) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (3S)-1-N-[(2R)-3-methyl-3-phenylbutan-2-yl]pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N-[(2R)-3-methyl-3-phenylbutan-2-yl]pyrrolidine-1,3-dicarboxamide
PubChem CID95310200
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(3S)-1-N-[(2R)-3-methyl-3-phenylbutan-2-yl]pyrrolidine-1,3-dicarboxamide
SMILESC[C@@H](NC(=O)N1CC[C@H](C(N)=O)C1)C(C)(C)c1ccccc1
InChIInChI=1S/C17H25N3O2/c1-12(17(2,3)14-7-5-4-6-8-14)19-16(22)20-10-9-13(11-20)15(18)21/h4-8,12-13H,9-11H2,1-3H3,(H2,18,21)(H,19,22)/t12-,13+/m1/s1
InChIKeyQTQYMTPLEOKWMT-OLZOCXBDSA-N
XLogP1.87
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2-phenylpropan-2-yl)piperidine-1,4-dicarboxamide
CID 110676358
1-(3,3-dimethylbutan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 104829352
1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
CID 51074335
(3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118979
(3S)-1-N-[(S)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118978
1-N-benzhydrylpiperidine-1,4-dicarboxamide
CID 108867553
(3S)-1-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]pyrrolidine-1,3-dicarboxamide
CID 95579656
1-[(2-methyl-2-phenylpentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122003412
2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 114082317
2-(cyclopropylmethylamino)-N-(3-methyl-3-phenylbutan-2-yl)acetamide;hydrochloride
CID 119765459
1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63031396
1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide
CID 56797928

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N-[(2R)-3-methyl-3-phenylbutan-2-yl]pyrrolidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N-[(2R)-3-methyl-3-phenylbutan-2-yl]pyrrolidine-1,3-dicarboxamide (CID 95310200) is (3S)-1-N-[(2R)-3-methyl-3-phenylbutan-2-yl]pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N-[(2R)-3-methyl-3-phenylbutan-2-yl]pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N-[(2R)-3-methyl-3-phenylbutan-2-yl]pyrrolidine-1,3-dicarboxamide is C[C@@H](NC(=O)N1CC[C@H](C(N)=O)C1)C(C)(C)c1ccccc1.
What is the InChIKey of (3S)-1-N-[(2R)-3-methyl-3-phenylbutan-2-yl]pyrrolidine-1,3-dicarboxamide?
The InChIKey is QTQYMTPLEOKWMT-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(17(2,3)14-7-5-4-6-8-14)19-16(22)20-10-9-13(11-20)15(18)21/h4-8,12-13H,9-11H2,1-3H3,(H2,18,21)(H,19,22)/t12-,13+/m1/s1.
What are the key properties of (3S)-1-N-[(2R)-3-methyl-3-phenylbutan-2-yl]pyrrolidine-1,3-dicarboxamide?
(3S)-1-N-[(2R)-3-methyl-3-phenylbutan-2-yl]pyrrolidine-1,3-dicarboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N-[(2R)-3-methyl-3-phenylbutan-2-yl]pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 95310200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).