N-[[2-[(3R)-1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide

C16H25N5O2 — CID 125023356

IUPACN-[[2-[(3R)-1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc([C@@H]2CCN(C(=O)C3(N)CCCC3)C2)[nH]1
InChIInChI=1S/C16H25N5O2/c1-11(22)18-8-13-9-19-14(20-13)12-4-7-21(10-12)15(23)16(17)5-2-3-6-16/h9,12H,2-8,10,17H2,1H3,(H,18,22)(H,19,20)/t12-/m1/s1
InChIKeyYXPNWQBLJOEHMK-GFCCVEGCSA-N
MW319.41 g/mol
LogP0.63
Rot. Bonds4

About N-[[2-[(3R)-1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide

N-[[2-[(3R)-1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide (PubChem CID 125023356) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[[2-[(3R)-1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[(3R)-1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
PubChem CID125023356
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-[[2-[(3R)-1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc([C@@H]2CCN(C(=O)C3(N)CCCC3)C2)[nH]1
InChIInChI=1S/C16H25N5O2/c1-11(22)18-8-13-9-19-14(20-13)12-4-7-21(10-12)15(23)16(17)5-2-3-6-16/h9,12H,2-8,10,17H2,1H3,(H,18,22)(H,19,20)/t12-/m1/s1
InChIKeyYXPNWQBLJOEHMK-GFCCVEGCSA-N
XLogP0.63
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3R)-1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[2-[(3R)-1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide (CID 125023356) is N-[[2-[(3R)-1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[(3R)-1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[(3R)-1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide is CC(=O)NCc1cnc([C@@H]2CCN(C(=O)C3(N)CCCC3)C2)[nH]1.
What is the InChIKey of N-[[2-[(3R)-1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
The InChIKey is YXPNWQBLJOEHMK-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-11(22)18-8-13-9-19-14(20-13)12-4-7-21(10-12)15(23)16(17)5-2-3-6-16/h9,12H,2-8,10,17H2,1H3,(H,18,22)(H,19,20)/t12-/m1/s1.
What are the key properties of N-[[2-[(3R)-1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
N-[[2-[(3R)-1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide has a molecular weight of 319.41 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3R)-1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide is sourced from PubChem (CID 125023356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).