(2S)-N-(2-phenoxyphenyl)pyrrolidin-1-ium-2-carboxamide

C17H19N2O2+ — CID 6941294

IUPAC(2S)-N-(2-phenoxyphenyl)pyrrolidin-1-ium-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCC[NH2+]1
InChIInChI=1S/C17H18N2O2/c20-17(15-10-6-12-18-15)19-14-9-4-5-11-16(14)21-13-7-2-1-3-8-13/h1-5,7-9,11,15,18H,6,10,12H2,(H,19,20)/p+1/t15-/m0/s1
InChIKeyCZQGXMDJXURLDP-HNNXBMFYSA-O
MW283.35 g/mol
LogP2.14
Rot. Bonds4

About (2S)-N-(2-phenoxyphenyl)pyrrolidin-1-ium-2-carboxamide

(2S)-N-(2-phenoxyphenyl)pyrrolidin-1-ium-2-carboxamide (PubChem CID 6941294) has the molecular formula C17H19N2O2+ and a molecular weight of 283.35 g/mol. Its IUPAC name is (2S)-N-(2-phenoxyphenyl)pyrrolidin-1-ium-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-phenoxyphenyl)pyrrolidin-1-ium-2-carboxamide
PubChem CID6941294
Molecular FormulaC17H19N2O2+
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name(2S)-N-(2-phenoxyphenyl)pyrrolidin-1-ium-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCC[NH2+]1
InChIInChI=1S/C17H18N2O2/c20-17(15-10-6-12-18-15)19-14-9-4-5-11-16(14)21-13-7-2-1-3-8-13/h1-5,7-9,11,15,18H,6,10,12H2,(H,19,20)/p+1/t15-/m0/s1
InChIKeyCZQGXMDJXURLDP-HNNXBMFYSA-O
XLogP2.14
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenoxyphenyl)piperidine-2-carboxamide
CID 18071902
2-oxo-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 110682205
N-[2-oxo-2-(2-phenoxyanilino)ethyl]cyclopropanecarboxamide
CID 42697207
1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 110426937
6-cyclopropyl-N-(2-phenoxyphenyl)pyridazine-3-carboxamide
CID 113200298
2-(cyclopropylamino)-N-(2-phenoxyphenyl)acetamide
CID 60647217
1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 2991510
N-(2-phenoxyphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132342
N-(2-phenoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 43185178
1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 31821899
N-(2-phenoxyphenyl)-9H-xanthene-9-carboxamide
CID 4158709
2-[cyclohexyl(methyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 46800677

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-phenoxyphenyl)pyrrolidin-1-ium-2-carboxamide?
The IUPAC name of (2S)-N-(2-phenoxyphenyl)pyrrolidin-1-ium-2-carboxamide (CID 6941294) is (2S)-N-(2-phenoxyphenyl)pyrrolidin-1-ium-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-phenoxyphenyl)pyrrolidin-1-ium-2-carboxamide?
The canonical SMILES for (2S)-N-(2-phenoxyphenyl)pyrrolidin-1-ium-2-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCC[NH2+]1.
What is the InChIKey of (2S)-N-(2-phenoxyphenyl)pyrrolidin-1-ium-2-carboxamide?
The InChIKey is CZQGXMDJXURLDP-HNNXBMFYSA-O. The full InChI is InChI=1S/C17H18N2O2/c20-17(15-10-6-12-18-15)19-14-9-4-5-11-16(14)21-13-7-2-1-3-8-13/h1-5,7-9,11,15,18H,6,10,12H2,(H,19,20)/p+1/t15-/m0/s1.
What are the key properties of (2S)-N-(2-phenoxyphenyl)pyrrolidin-1-ium-2-carboxamide?
(2S)-N-(2-phenoxyphenyl)pyrrolidin-1-ium-2-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-phenoxyphenyl)pyrrolidin-1-ium-2-carboxamide is sourced from PubChem (CID 6941294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).