(2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylimidazol-1-yl)propanamide

C13H21N3O2 — CID 126438614

IUPAC(2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylimidazol-1-yl)propanamide
SMILESCc1nccn1[C@H](C)C(=O)NC1(CO)CCCC1
InChIInChI=1S/C13H21N3O2/c1-10(16-8-7-14-11(16)2)12(18)15-13(9-17)5-3-4-6-13/h7-8,10,17H,3-6,9H2,1-2H3,(H,15,18)/t10-/m1/s1
InChIKeyGUUDXUUVZSEWNS-SNVBAGLBSA-N
MW251.33 g/mol
LogP1.17
Rot. Bonds4

About (2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylimidazol-1-yl)propanamide

(2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylimidazol-1-yl)propanamide (PubChem CID 126438614) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylimidazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylimidazol-1-yl)propanamide
PubChem CID126438614
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylimidazol-1-yl)propanamide
SMILESCc1nccn1[C@H](C)C(=O)NC1(CO)CCCC1
InChIInChI=1S/C13H21N3O2/c1-10(16-8-7-14-11(16)2)12(18)15-13(9-17)5-3-4-6-13/h7-8,10,17H,3-6,9H2,1-2H3,(H,15,18)/t10-/m1/s1
InChIKeyGUUDXUUVZSEWNS-SNVBAGLBSA-N
XLogP1.17
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylimidazol-1-yl)propanamide?
The IUPAC name of (2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylimidazol-1-yl)propanamide (CID 126438614) is (2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylimidazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylimidazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylimidazol-1-yl)propanamide is Cc1nccn1[C@H](C)C(=O)NC1(CO)CCCC1.
What is the InChIKey of (2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylimidazol-1-yl)propanamide?
The InChIKey is GUUDXUUVZSEWNS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(16-8-7-14-11(16)2)12(18)15-13(9-17)5-3-4-6-13/h7-8,10,17H,3-6,9H2,1-2H3,(H,15,18)/t10-/m1/s1.
What are the key properties of (2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylimidazol-1-yl)propanamide?
(2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylimidazol-1-yl)propanamide has a molecular weight of 251.33 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylimidazol-1-yl)propanamide is sourced from PubChem (CID 126438614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).