2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[2-(triazol-1-yl)ethyl]acetamide

C15H26N6O — CID 166623794

IUPAC2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[2-(triazol-1-yl)ethyl]acetamide
SMILESNC[C@H]1CC[C@@H](CC(=O)NCCn2ccnn2)N1CC1CC1
InChIInChI=1S/C15H26N6O/c16-10-14-4-3-13(21(14)11-12-1-2-12)9-15(22)17-5-7-20-8-6-18-19-20/h6,8,12-14H,1-5,7,9-11,16H2,(H,17,22)/t13-,14+/m0/s1
InChIKeyWAPQHUDCLUMOEV-UONOGXRCSA-N
MW306.41 g/mol
LogP-0.01
Rot. Bonds8

About 2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[2-(triazol-1-yl)ethyl]acetamide

2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[2-(triazol-1-yl)ethyl]acetamide (PubChem CID 166623794) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[2-(triazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[2-(triazol-1-yl)ethyl]acetamide
PubChem CID166623794
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC Name2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[2-(triazol-1-yl)ethyl]acetamide
SMILESNC[C@H]1CC[C@@H](CC(=O)NCCn2ccnn2)N1CC1CC1
InChIInChI=1S/C15H26N6O/c16-10-14-4-3-13(21(14)11-12-1-2-12)9-15(22)17-5-7-20-8-6-18-19-20/h6,8,12-14H,1-5,7,9-11,16H2,(H,17,22)/t13-,14+/m0/s1
InChIKeyWAPQHUDCLUMOEV-UONOGXRCSA-N
XLogP-0.01
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[2-(triazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[2-(triazol-1-yl)ethyl]acetamide (CID 166623794) is 2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[2-(triazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[2-(triazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[2-(triazol-1-yl)ethyl]acetamide is NC[C@H]1CC[C@@H](CC(=O)NCCn2ccnn2)N1CC1CC1.
What is the InChIKey of 2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[2-(triazol-1-yl)ethyl]acetamide?
The InChIKey is WAPQHUDCLUMOEV-UONOGXRCSA-N. The full InChI is InChI=1S/C15H26N6O/c16-10-14-4-3-13(21(14)11-12-1-2-12)9-15(22)17-5-7-20-8-6-18-19-20/h6,8,12-14H,1-5,7,9-11,16H2,(H,17,22)/t13-,14+/m0/s1.
What are the key properties of 2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[2-(triazol-1-yl)ethyl]acetamide?
2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[2-(triazol-1-yl)ethyl]acetamide has a molecular weight of 306.41 g/mol, XLogP of -0.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[2-(triazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 166623794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).