(2S,4S)-4-amino-N-methyl-1-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide

C19H23N3O — CID 56701641

IUPAC(2S,4S)-4-amino-N-methyl-1-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](N)CN1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C19H23N3O/c1-21-19(23)18-11-16(20)13-22(18)12-15-9-5-6-10-17(15)14-7-3-2-4-8-14/h2-10,16,18H,11-13,20H2,1H3,(H,21,23)/t16-,18-/m0/s1
InChIKeyHYPTVSGJJUAKRC-WMZOPIPTSA-N
MW309.41 g/mol
LogP2.00
Rot. Bonds4

About (2S,4S)-4-amino-N-methyl-1-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N-methyl-1-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 56701641) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (2S,4S)-4-amino-N-methyl-1-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N-methyl-1-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID56701641
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(2S,4S)-4-amino-N-methyl-1-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](N)CN1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C19H23N3O/c1-21-19(23)18-11-16(20)13-22(18)12-15-9-5-6-10-17(15)14-7-3-2-4-8-14/h2-10,16,18H,11-13,20H2,1H3,(H,21,23)/t16-,18-/m0/s1
InChIKeyHYPTVSGJJUAKRC-WMZOPIPTSA-N
XLogP2.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-4-amino-N-methyl-1-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide
CID 56719615
(2S,4S)-4-amino-N-ethyl-1-[[2-(2-phenylethynyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 56713290
(2S,4S)-4-amino-1-benzyl-N-ethylpyrrolidine-2-carboxamide
CID 118759074
(2S,4R)-4-amino-1-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 70779572
(2S,4S)-4-amino-1-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 118759681
(2S,4R)-4-amino-1-[(5-cyclohexylthiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 70737374
(2S,4R)-4-amino-N-methyl-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 56710024
(2S,4R)-1-benzyl-N-methyl-4-(propan-2-ylamino)pyrrolidine-2-carboxamide
CID 45245451
(2S,4S)-4-amino-N-methyl-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 56710973
(2S,4R)-4-amino-1-[(5-methoxy-2H-indazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 70765873
N-[[(3S)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95217230
1-[(4-amino-2-phenylphenyl)methyl]pyrrolidine-2,4-dicarboxylic acid
CID 67761005

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N-methyl-1-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N-methyl-1-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide (CID 56701641) is (2S,4S)-4-amino-N-methyl-1-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N-methyl-1-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N-methyl-1-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@H](N)CN1Cc1ccccc1-c1ccccc1.
What is the InChIKey of (2S,4S)-4-amino-N-methyl-1-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is HYPTVSGJJUAKRC-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H23N3O/c1-21-19(23)18-11-16(20)13-22(18)12-15-9-5-6-10-17(15)14-7-3-2-4-8-14/h2-10,16,18H,11-13,20H2,1H3,(H,21,23)/t16-,18-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N-methyl-1-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N-methyl-1-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N-methyl-1-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56701641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).