1-amino-N-(2-phenylethyl)pyrrolidine-2-carboxamide;methyl formate

C15H23N3O3 — CID 171509767

IUPAC1-amino-N-(2-phenylethyl)pyrrolidine-2-carboxamide;methyl formate
SMILESCOC=O.NN1CCCC1C(=O)NCCc1ccccc1
InChIInChI=1S/C13H19N3O.C2H4O2/c14-16-10-4-7-12(16)13(17)15-9-8-11-5-2-1-3-6-11;1-4-2-3/h1-3,5-6,12H,4,7-10,14H2,(H,15,17);2H,1H3
InChIKeyRBZXZJJIKALVNS-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.47
Rot. Bonds5

About 1-amino-N-(2-phenylethyl)pyrrolidine-2-carboxamide;methyl formate

1-amino-N-(2-phenylethyl)pyrrolidine-2-carboxamide;methyl formate (PubChem CID 171509767) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-amino-N-(2-phenylethyl)pyrrolidine-2-carboxamide;methyl formate.

Molecular Properties

Compound Name1-amino-N-(2-phenylethyl)pyrrolidine-2-carboxamide;methyl formate
PubChem CID171509767
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-amino-N-(2-phenylethyl)pyrrolidine-2-carboxamide;methyl formate
SMILESCOC=O.NN1CCCC1C(=O)NCCc1ccccc1
InChIInChI=1S/C13H19N3O.C2H4O2/c14-16-10-4-7-12(16)13(17)15-9-8-11-5-2-1-3-6-11;1-4-2-3/h1-3,5-6,12H,4,7-10,14H2,(H,15,17);2H,1H3
InChIKeyRBZXZJJIKALVNS-UHFFFAOYSA-N
XLogP0.47
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 39855260
(2S)-5-methoxy-1-methyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 66995375
(2R)-1-N-(3-methoxyphenyl)-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide
CID 1433427
1-(cyclopentanecarbonyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxamide
CID 166197517
(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28509967
1-(4-bromophenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 24654361
1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 47984523
(2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 1468798
(2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 75384682
N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 59279121
(2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 8779427
(2R)-N-(2-benzamidoethyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 24720617

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-phenylethyl)pyrrolidine-2-carboxamide;methyl formate?
The IUPAC name of 1-amino-N-(2-phenylethyl)pyrrolidine-2-carboxamide;methyl formate (CID 171509767) is 1-amino-N-(2-phenylethyl)pyrrolidine-2-carboxamide;methyl formate.
What is the SMILES notation for 1-amino-N-(2-phenylethyl)pyrrolidine-2-carboxamide;methyl formate?
The canonical SMILES for 1-amino-N-(2-phenylethyl)pyrrolidine-2-carboxamide;methyl formate is COC=O.NN1CCCC1C(=O)NCCc1ccccc1.
What is the InChIKey of 1-amino-N-(2-phenylethyl)pyrrolidine-2-carboxamide;methyl formate?
The InChIKey is RBZXZJJIKALVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.C2H4O2/c14-16-10-4-7-12(16)13(17)15-9-8-11-5-2-1-3-6-11;1-4-2-3/h1-3,5-6,12H,4,7-10,14H2,(H,15,17);2H,1H3.
What are the key properties of 1-amino-N-(2-phenylethyl)pyrrolidine-2-carboxamide;methyl formate?
1-amino-N-(2-phenylethyl)pyrrolidine-2-carboxamide;methyl formate has a molecular weight of 293.37 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-phenylethyl)pyrrolidine-2-carboxamide;methyl formate is sourced from PubChem (CID 171509767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).