(2S,4S)-4-amino-N-methyl-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide

C17H20N4O2 — CID 56720955

IUPAC(2S,4S)-4-amino-N-methyl-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C17H20N4O2/c1-19-16(22)15-10-13(18)11-21(15)17(23)12-4-6-14(7-5-12)20-8-2-3-9-20/h2-9,13,15H,10-11,18H2,1H3,(H,19,22)/t13-,15-/m0/s1
InChIKeyMRPWCLOYJJGZFF-ZFWWWQNUSA-N
MW312.37 g/mol
LogP0.77
Rot. Bonds3

About (2S,4S)-4-amino-N-methyl-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N-methyl-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide (PubChem CID 56720955) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2S,4S)-4-amino-N-methyl-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N-methyl-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide
PubChem CID56720955
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(2S,4S)-4-amino-N-methyl-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C17H20N4O2/c1-19-16(22)15-10-13(18)11-21(15)17(23)12-4-6-14(7-5-12)20-8-2-3-9-20/h2-9,13,15H,10-11,18H2,1H3,(H,19,22)/t13-,15-/m0/s1
InChIKeyMRPWCLOYJJGZFF-ZFWWWQNUSA-N
XLogP0.77
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-amino-N-methyl-1-[2-(4-methylbenzoyl)benzoyl]pyrrolidine-2-carboxamide
CID 56717984
(2S,4S)-4-amino-N-ethyl-1-(4-imidazol-1-ylbenzoyl)pyrrolidine-2-carboxamide
CID 56719002
methyl 4-amino-1-benzoylpyrrolidine-2-carboxylate;hydrochloride
CID 75088456
(2S,4S)-4-amino-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)pyrrolidine-2-carboxamide
CID 56710422
(4-pyrrol-1-ylphenyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122272632
(2S,4S)-4-amino-N-ethyl-1-[4-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 56708997
(2S,4R)-4-amino-1-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 56710407
(2S,4S)-4-amino-N-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
CID 56707392
(2S,4R)-4-amino-N-methyl-1-(1,3,7-trimethylindole-2-carbonyl)pyrrolidine-2-carboxamide
CID 56718530
(2S,4S)-4-amino-N-methyl-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 56710973
(2S,4R)-4-amino-N-ethyl-1-(4-methylsulfonylbenzoyl)pyrrolidine-2-carboxamide
CID 56706520
(2S,4R)-4-amino-1-[2,4-bis(trifluoromethyl)benzoyl]-N-methylpyrrolidine-2-carboxamide
CID 56748375

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N-methyl-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N-methyl-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide (CID 56720955) is (2S,4S)-4-amino-N-methyl-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N-methyl-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N-methyl-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of (2S,4S)-4-amino-N-methyl-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is MRPWCLOYJJGZFF-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-19-16(22)15-10-13(18)11-21(15)17(23)12-4-6-14(7-5-12)20-8-2-3-9-20/h2-9,13,15H,10-11,18H2,1H3,(H,19,22)/t13-,15-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N-methyl-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N-methyl-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N-methyl-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56720955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).