(2R,6S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylmorpholine-4-carboxamide

C13H22N4O2 — CID 100561408

IUPAC(2R,6S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylmorpholine-4-carboxamide
SMILESC[C@H](Cn1ccnc1)NC(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H22N4O2/c1-10(6-16-5-4-14-9-16)15-13(18)17-7-11(2)19-12(3)8-17/h4-5,9-12H,6-8H2,1-3H3,(H,15,18)/t10-,11-,12+/m1/s1
InChIKeyHSPFVXMINMDHRG-UTUOFQBUSA-N
MW266.34 g/mol
LogP1.09
Rot. Bonds3

About (2R,6S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylmorpholine-4-carboxamide

(2R,6S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 100561408) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2R,6S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID100561408
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(2R,6S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylmorpholine-4-carboxamide
SMILESC[C@H](Cn1ccnc1)NC(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H22N4O2/c1-10(6-16-5-4-14-9-16)15-13(18)17-7-11(2)19-12(3)8-17/h4-5,9-12H,6-8H2,1-3H3,(H,15,18)/t10-,11-,12+/m1/s1
InChIKeyHSPFVXMINMDHRG-UTUOFQBUSA-N
XLogP1.09
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,6S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylmorpholine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide
CID 94122810
(3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 95134502
(2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944791
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 95152739
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94122779
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 94122773
4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 60847096
(3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 95904933
(3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 95904931
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of (2R,6S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylmorpholine-4-carboxamide (CID 100561408) is (2R,6S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for (2R,6S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for (2R,6S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylmorpholine-4-carboxamide is C[C@H](Cn1ccnc1)NC(=O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2R,6S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is HSPFVXMINMDHRG-UTUOFQBUSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10(6-16-5-4-14-9-16)15-13(18)17-7-11(2)19-12(3)8-17/h4-5,9-12H,6-8H2,1-3H3,(H,15,18)/t10-,11-,12+/m1/s1.
What are the key properties of (2R,6S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylmorpholine-4-carboxamide?
(2R,6S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 100561408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).