2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-N-[(3-ethylimidazol-4-yl)methyl]acetamide

C14H25N5O — CID 166614544

IUPAC2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-N-[(3-ethylimidazol-4-yl)methyl]acetamide
SMILESCCn1cncc1CNC(=O)C[C@@H]1CC[C@H](CN)N1C
InChIInChI=1S/C14H25N5O/c1-3-19-10-16-8-13(19)9-17-14(20)6-11-4-5-12(7-15)18(11)2/h8,10-12H,3-7,9,15H2,1-2H3,(H,17,20)/t11-,12+/m0/s1
InChIKeyUEVGNWKKLOMUFB-NWDGAFQWSA-N
MW279.39 g/mol
LogP0.33
Rot. Bonds6

About 2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-N-[(3-ethylimidazol-4-yl)methyl]acetamide

2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-N-[(3-ethylimidazol-4-yl)methyl]acetamide (PubChem CID 166614544) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-N-[(3-ethylimidazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-N-[(3-ethylimidazol-4-yl)methyl]acetamide
PubChem CID166614544
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-N-[(3-ethylimidazol-4-yl)methyl]acetamide
SMILESCCn1cncc1CNC(=O)C[C@@H]1CC[C@H](CN)N1C
InChIInChI=1S/C14H25N5O/c1-3-19-10-16-8-13(19)9-17-14(20)6-11-4-5-12(7-15)18(11)2/h8,10-12H,3-7,9,15H2,1-2H3,(H,17,20)/t11-,12+/m0/s1
InChIKeyUEVGNWKKLOMUFB-NWDGAFQWSA-N
XLogP0.33
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R,5S)-5-(methanesulfonamidomethyl)-1-methylpyrrolidin-2-yl]-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide
CID 171388058
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]propanamide
CID 124849946
N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide
CID 122569446
(3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 125445470
N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide;formic acid
CID 154911064
N-[(3-ethylimidazol-4-yl)methyl]-2-[(3S)-4-[(E)-3-phenylprop-2-enyl]morpholin-3-yl]acetamide
CID 95873924
3-[(3-ethylimidazol-4-yl)methylamino]-N-propylpropanamide
CID 66135289
N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 66133411
2-(aminomethyl)-N-cyclopropyl-3-(3-ethylimidazol-4-yl)propanamide
CID 66135433
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 66133237
N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide
CID 66132937

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-N-[(3-ethylimidazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-N-[(3-ethylimidazol-4-yl)methyl]acetamide (CID 166614544) is 2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-N-[(3-ethylimidazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-N-[(3-ethylimidazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-N-[(3-ethylimidazol-4-yl)methyl]acetamide is CCn1cncc1CNC(=O)C[C@@H]1CC[C@H](CN)N1C.
What is the InChIKey of 2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-N-[(3-ethylimidazol-4-yl)methyl]acetamide?
The InChIKey is UEVGNWKKLOMUFB-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H25N5O/c1-3-19-10-16-8-13(19)9-17-14(20)6-11-4-5-12(7-15)18(11)2/h8,10-12H,3-7,9,15H2,1-2H3,(H,17,20)/t11-,12+/m0/s1.
What are the key properties of 2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-N-[(3-ethylimidazol-4-yl)methyl]acetamide?
2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-N-[(3-ethylimidazol-4-yl)methyl]acetamide has a molecular weight of 279.39 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-N-[(3-ethylimidazol-4-yl)methyl]acetamide is sourced from PubChem (CID 166614544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).