(3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide

C17H19N3O2 — CID 142326301

IUPAC(3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide
SMILESN[C@@H]1CCN(C(=O)Nc2ccccc2Oc2ccccc2)C1
InChIInChI=1S/C17H19N3O2/c18-13-10-11-20(12-13)17(21)19-15-8-4-5-9-16(15)22-14-6-2-1-3-7-14/h1-9,13H,10-12,18H2,(H,19,21)/t13-/m1/s1
InChIKeyCFNHIJYXXMGRQS-CYBMUJFWSA-N
MW297.36 g/mol
LogP3.04
Rot. Bonds3

About (3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide

(3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 142326301) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID142326301
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide
SMILESN[C@@H]1CCN(C(=O)Nc2ccccc2Oc2ccccc2)C1
InChIInChI=1S/C17H19N3O2/c18-13-10-11-20(12-13)17(21)19-15-8-4-5-9-16(15)22-14-6-2-1-3-7-14/h1-9,13H,10-12,18H2,(H,19,21)/t13-/m1/s1
InChIKeyCFNHIJYXXMGRQS-CYBMUJFWSA-N
XLogP3.04
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide
CID 125166844
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
N-(5-fluoro-2-phenoxyphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 71854681
(3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
CID 111473314
N-(2-phenoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 3268615
N-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 75520270
N-(5-fluoro-2-phenoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110929978
1-[[2-(4-methylphenoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074253
(4-aminopiperidin-1-yl)-(2-phenoxyphenyl)methanone
CID 119373846
4-methyl-N-[2-(3-methylphenoxy)phenyl]piperidine-1-carboxamide
CID 112824865
phenyl 3-aminopyrrolidine-1-carboxylate
CID 62067214
(1S,5R)-10-oxo-N-(2-phenoxyphenyl)-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxamide
CID 155913503

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide (CID 142326301) is (3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide is N[C@@H]1CCN(C(=O)Nc2ccccc2Oc2ccccc2)C1.
What is the InChIKey of (3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is CFNHIJYXXMGRQS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O2/c18-13-10-11-20(12-13)17(21)19-15-8-4-5-9-16(15)22-14-6-2-1-3-7-14/h1-9,13H,10-12,18H2,(H,19,21)/t13-/m1/s1.
What are the key properties of (3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide?
(3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 142326301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).