N-[[(2R)-butan-2-yl]carbamoyl]-2-morpholin-4-ium-4-ylacetamide

C11H22N3O3+ — CID 8903819

IUPACN-[[(2R)-butan-2-yl]carbamoyl]-2-morpholin-4-ium-4-ylacetamide
SMILESCC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCOCC1
InChIInChI=1S/C11H21N3O3/c1-3-9(2)12-11(16)13-10(15)8-14-4-6-17-7-5-14/h9H,3-8H2,1-2H3,(H2,12,13,15,16)/p+1/t9-/m1/s1
InChIKeyQFZMGQFWJATRQZ-SECBINFHSA-O
MW244.31 g/mol
LogP-1.47
Rot. Bonds4

About N-[[(2R)-butan-2-yl]carbamoyl]-2-morpholin-4-ium-4-ylacetamide

N-[[(2R)-butan-2-yl]carbamoyl]-2-morpholin-4-ium-4-ylacetamide (PubChem CID 8903819) has the molecular formula C11H22N3O3+ and a molecular weight of 244.31 g/mol. Its IUPAC name is N-[[(2R)-butan-2-yl]carbamoyl]-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-[[(2R)-butan-2-yl]carbamoyl]-2-morpholin-4-ium-4-ylacetamide
PubChem CID8903819
Molecular FormulaC11H22N3O3+
Molecular Weight244.31 g/mol
Exact Mass244.17
IUPAC NameN-[[(2R)-butan-2-yl]carbamoyl]-2-morpholin-4-ium-4-ylacetamide
SMILESCC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCOCC1
InChIInChI=1S/C11H21N3O3/c1-3-9(2)12-11(16)13-10(15)8-14-4-6-17-7-5-14/h9H,3-8H2,1-2H3,(H2,12,13,15,16)/p+1/t9-/m1/s1
InChIKeyQFZMGQFWJATRQZ-SECBINFHSA-O
XLogP-1.47
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 8931970
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8690331
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9389866
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9257283
N-[[(2R)-butan-2-yl]carbamoyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8528792
N-[[(2R)-butan-2-yl]carbamoyl]-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9259105
N-[[(2R)-butan-2-yl]carbamoyl]-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 8757908
N-[[(2R)-butan-2-yl]carbamoyl]-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711763
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711764
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide
CID 8007055
N-(benzylcarbamoyl)-2-morpholin-4-ium-4-ylacetamide
CID 2697515
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8898882

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-butan-2-yl]carbamoyl]-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-[[(2R)-butan-2-yl]carbamoyl]-2-morpholin-4-ium-4-ylacetamide (CID 8903819) is N-[[(2R)-butan-2-yl]carbamoyl]-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-[[(2R)-butan-2-yl]carbamoyl]-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-[[(2R)-butan-2-yl]carbamoyl]-2-morpholin-4-ium-4-ylacetamide is CC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCOCC1.
What is the InChIKey of N-[[(2R)-butan-2-yl]carbamoyl]-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is QFZMGQFWJATRQZ-SECBINFHSA-O. The full InChI is InChI=1S/C11H21N3O3/c1-3-9(2)12-11(16)13-10(15)8-14-4-6-17-7-5-14/h9H,3-8H2,1-2H3,(H2,12,13,15,16)/p+1/t9-/m1/s1.
What are the key properties of N-[[(2R)-butan-2-yl]carbamoyl]-2-morpholin-4-ium-4-ylacetamide?
N-[[(2R)-butan-2-yl]carbamoyl]-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 244.31 g/mol, XLogP of -1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-butan-2-yl]carbamoyl]-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 8903819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).