(2R,3S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide

C11H18N4O2 — CID 120941740

IUPAC(2R,3S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCc1ncc[nH]1
InChIInChI=1S/C11H18N4O2/c1-8-10(14-6-7-17-8)11(16)15-3-2-9-12-4-5-13-9/h4-5,8,10,14H,2-3,6-7H2,1H3,(H,12,13)(H,15,16)/t8-,10+/m1/s1
InChIKeyWLALLQMHRWBKIR-SCZZXKLOSA-N
MW238.29 g/mol
LogP-0.55
Rot. Bonds4

About (2R,3S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120941740) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (2R,3S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide
PubChem CID120941740
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name(2R,3S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCc1ncc[nH]1
InChIInChI=1S/C11H18N4O2/c1-8-10(14-6-7-17-8)11(16)15-3-2-9-12-4-5-13-9/h4-5,8,10,14H,2-3,6-7H2,1H3,(H,12,13)(H,15,16)/t8-,10+/m1/s1
InChIKeyWLALLQMHRWBKIR-SCZZXKLOSA-N
XLogP-0.55
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide (CID 120941740) is (2R,3S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NCCc1ncc[nH]1.
What is the InChIKey of (2R,3S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is WLALLQMHRWBKIR-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-10(14-6-7-17-8)11(16)15-3-2-9-12-4-5-13-9/h4-5,8,10,14H,2-3,6-7H2,1H3,(H,12,13)(H,15,16)/t8-,10+/m1/s1.
What are the key properties of (2R,3S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of -0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120941740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).