2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

C20H33N5O2 — CID 166623763

IUPAC2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESNC[C@H]1CC[C@@H](CC(=O)NCc2nc(C3CCCCC3)no2)N1CC1CC1
InChIInChI=1S/C20H33N5O2/c21-11-17-9-8-16(25(17)13-14-6-7-14)10-18(26)22-12-19-23-20(24-27-19)15-4-2-1-3-5-15/h14-17H,1-13,21H2,(H,22,26)/t16-,17+/m0/s1
InChIKeySERQSBHNUXJBIJ-DLBZAZTESA-N
MW375.52 g/mol
LogP2.33
Rot. Bonds8

About 2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 166623763) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID166623763
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESNC[C@H]1CC[C@@H](CC(=O)NCc2nc(C3CCCCC3)no2)N1CC1CC1
InChIInChI=1S/C20H33N5O2/c21-11-17-9-8-16(25(17)13-14-6-7-14)10-18(26)22-12-19-23-20(24-27-19)15-4-2-1-3-5-15/h14-17H,1-13,21H2,(H,22,26)/t16-,17+/m0/s1
InChIKeySERQSBHNUXJBIJ-DLBZAZTESA-N
XLogP2.33
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 52.33
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-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 166623763) is 2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is NC[C@H]1CC[C@@H](CC(=O)NCc2nc(C3CCCCC3)no2)N1CC1CC1.
What is the InChIKey of 2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is SERQSBHNUXJBIJ-DLBZAZTESA-N. The full InChI is InChI=1S/C20H33N5O2/c21-11-17-9-8-16(25(17)13-14-6-7-14)10-18(26)22-12-19-23-20(24-27-19)15-4-2-1-3-5-15/h14-17H,1-13,21H2,(H,22,26)/t16-,17+/m0/s1.
What are the key properties of 2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 375.52 g/mol, XLogP of 2.33, 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-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 166623763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).