N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-morpholin-4-ium-4-ylacetamide

C12H22N3O2+ — CID 2470494

IUPACN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-morpholin-4-ium-4-ylacetamide
SMILESCC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCOCC1
InChIInChI=1S/C12H21N3O2/c1-10(2)12(3,9-13)14-11(16)8-15-4-6-17-7-5-15/h10H,4-8H2,1-3H3,(H,14,16)/p+1/t12-/m0/s1
InChIKeyMPGUMWPBEUXVBU-LBPRGKRZSA-O
MW240.33 g/mol
LogP-1.04
Rot. Bonds4

About N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-morpholin-4-ium-4-ylacetamide

N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-morpholin-4-ium-4-ylacetamide (PubChem CID 2470494) has the molecular formula C12H22N3O2+ and a molecular weight of 240.33 g/mol. Its IUPAC name is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-morpholin-4-ium-4-ylacetamide
PubChem CID2470494
Molecular FormulaC12H22N3O2+
Molecular Weight240.33 g/mol
Exact Mass240.17
IUPAC NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-morpholin-4-ium-4-ylacetamide
SMILESCC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCOCC1
InChIInChI=1S/C12H21N3O2/c1-10(2)12(3,9-13)14-11(16)8-15-4-6-17-7-5-15/h10H,4-8H2,1-3H3,(H,14,16)/p+1/t12-/m0/s1
InChIKeyMPGUMWPBEUXVBU-LBPRGKRZSA-O
XLogP-1.04
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-morpholin-4-ium-4-ylacetamide (CID 2470494) is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-morpholin-4-ium-4-ylacetamide is CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCOCC1.
What is the InChIKey of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is MPGUMWPBEUXVBU-LBPRGKRZSA-O. The full InChI is InChI=1S/C12H21N3O2/c1-10(2)12(3,9-13)14-11(16)8-15-4-6-17-7-5-15/h10H,4-8H2,1-3H3,(H,14,16)/p+1/t12-/m0/s1.
What are the key properties of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-morpholin-4-ium-4-ylacetamide?
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 240.33 g/mol, XLogP of -1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 2470494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).