(2S,4R)-4-amino-N-methyl-1-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide

C15H23N3O2 — CID 56719615

IUPAC(2S,4R)-4-amino-N-methyl-1-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1CCOCc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-17-15(19)14-9-13(16)10-18(14)7-8-20-11-12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3,(H,17,19)/t13-,14+/m1/s1
InChIKeyUWGYIRLDAJRBOK-KGLIPLIRSA-N
MW277.37 g/mol
LogP0.35
Rot. Bonds6

About (2S,4R)-4-amino-N-methyl-1-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide

(2S,4R)-4-amino-N-methyl-1-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide (PubChem CID 56719615) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2S,4R)-4-amino-N-methyl-1-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N-methyl-1-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide
PubChem CID56719615
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2S,4R)-4-amino-N-methyl-1-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1CCOCc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-17-15(19)14-9-13(16)10-18(14)7-8-20-11-12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3,(H,17,19)/t13-,14+/m1/s1
InChIKeyUWGYIRLDAJRBOK-KGLIPLIRSA-N
XLogP0.35
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,4S)-4-amino-N-methyl-1-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 56701641
(2S,4S)-4-amino-1-benzyl-N-ethylpyrrolidine-2-carboxamide
CID 118759074
(2S,5S)-1-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-(methylcarbamoyl)piperidine-2-carboxylic acid
CID 167884847
(3S,4aS,8aR)-N-methyl-6-(2-phenylmethoxyethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 124802231
(2S,4R)-4-amino-1-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 70779572
benzyl 4-methoxy-2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 18404291
(2S,4R)-1-benzyl-N-methyl-4-(propan-2-ylamino)pyrrolidine-2-carboxamide
CID 45245451
3,5-dimethyl-4-(2-phenylmethoxyethyl)piperazine-1-carboxylic acid
CID 90345091
(2S,4R)-4-amino-1-[(5-cyclohexylthiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 70737374
benzyl (2R,5R)-5-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate
CID 118193066
(2S,4R)-4-amino-N-methyl-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 56710024
3-methyl-2-nitroso-1-(2-phenylmethoxyethyl)azetidine
CID 134504603

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N-methyl-1-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N-methyl-1-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide (CID 56719615) is (2S,4R)-4-amino-N-methyl-1-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N-methyl-1-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N-methyl-1-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](N)CN1CCOCc1ccccc1.
What is the InChIKey of (2S,4R)-4-amino-N-methyl-1-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide?
The InChIKey is UWGYIRLDAJRBOK-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17-15(19)14-9-13(16)10-18(14)7-8-20-11-12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3,(H,17,19)/t13-,14+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N-methyl-1-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N-methyl-1-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N-methyl-1-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56719615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).