(2S)-2-imidazol-1-yl-N-[1-(methoxymethyl)cyclopentyl]propanamide

C13H21N3O2 — CID 126440308

IUPAC(2S)-2-imidazol-1-yl-N-[1-(methoxymethyl)cyclopentyl]propanamide
SMILESCOCC1(NC(=O)[C@H](C)n2ccnc2)CCCC1
InChIInChI=1S/C13H21N3O2/c1-11(16-8-7-14-10-16)12(17)15-13(9-18-2)5-3-4-6-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyGXFFYUVQUOAUBL-NSHDSACASA-N
MW251.33 g/mol
LogP1.52
Rot. Bonds5

About (2S)-2-imidazol-1-yl-N-[1-(methoxymethyl)cyclopentyl]propanamide

(2S)-2-imidazol-1-yl-N-[1-(methoxymethyl)cyclopentyl]propanamide (PubChem CID 126440308) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2S)-2-imidazol-1-yl-N-[1-(methoxymethyl)cyclopentyl]propanamide.

Molecular Properties

Compound Name(2S)-2-imidazol-1-yl-N-[1-(methoxymethyl)cyclopentyl]propanamide
PubChem CID126440308
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(2S)-2-imidazol-1-yl-N-[1-(methoxymethyl)cyclopentyl]propanamide
SMILESCOCC1(NC(=O)[C@H](C)n2ccnc2)CCCC1
InChIInChI=1S/C13H21N3O2/c1-11(16-8-7-14-10-16)12(17)15-13(9-18-2)5-3-4-6-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyGXFFYUVQUOAUBL-NSHDSACASA-N
XLogP1.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-imidazol-1-yl-N-[1-(methoxymethyl)cyclopentyl]propanamide?
The IUPAC name of (2S)-2-imidazol-1-yl-N-[1-(methoxymethyl)cyclopentyl]propanamide (CID 126440308) is (2S)-2-imidazol-1-yl-N-[1-(methoxymethyl)cyclopentyl]propanamide.
What is the SMILES notation for (2S)-2-imidazol-1-yl-N-[1-(methoxymethyl)cyclopentyl]propanamide?
The canonical SMILES for (2S)-2-imidazol-1-yl-N-[1-(methoxymethyl)cyclopentyl]propanamide is COCC1(NC(=O)[C@H](C)n2ccnc2)CCCC1.
What is the InChIKey of (2S)-2-imidazol-1-yl-N-[1-(methoxymethyl)cyclopentyl]propanamide?
The InChIKey is GXFFYUVQUOAUBL-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3O2/c1-11(16-8-7-14-10-16)12(17)15-13(9-18-2)5-3-4-6-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,17)/t11-/m0/s1.
What are the key properties of (2S)-2-imidazol-1-yl-N-[1-(methoxymethyl)cyclopentyl]propanamide?
(2S)-2-imidazol-1-yl-N-[1-(methoxymethyl)cyclopentyl]propanamide has a molecular weight of 251.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-imidazol-1-yl-N-[1-(methoxymethyl)cyclopentyl]propanamide is sourced from PubChem (CID 126440308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).