potassium 2-[[methyl(propan-2-yl)carbamoyl]amino]-4-morpholin-4-ylbutanoate

C13H24KN3O4 — CID 140619520

IUPACpotassium 2-[[methyl(propan-2-yl)carbamoyl]amino]-4-morpholin-4-ylbutanoate
SMILESCC(C)N(C)C(=O)NC(CCN1CCOCC1)C(=O)[O-].[K+]
InChIInChI=1S/C13H25N3O4.K/c1-10(2)15(3)13(19)14-11(12(17)18)4-5-16-6-8-20-9-7-16;/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18);/q;+1/p-1
InChIKeyLTUMSWUOETYZBN-UHFFFAOYSA-M
MW325.45 g/mol
LogP-4.12
Rot. Bonds6

About potassium 2-[[methyl(propan-2-yl)carbamoyl]amino]-4-morpholin-4-ylbutanoate

potassium 2-[[methyl(propan-2-yl)carbamoyl]amino]-4-morpholin-4-ylbutanoate (PubChem CID 140619520) has the molecular formula C13H24KN3O4 and a molecular weight of 325.45 g/mol. Its IUPAC name is potassium 2-[[methyl(propan-2-yl)carbamoyl]amino]-4-morpholin-4-ylbutanoate.

Molecular Properties

Compound Namepotassium 2-[[methyl(propan-2-yl)carbamoyl]amino]-4-morpholin-4-ylbutanoate
PubChem CID140619520
Molecular FormulaC13H24KN3O4
Molecular Weight325.45 g/mol
Exact Mass325.14
IUPAC Namepotassium 2-[[methyl(propan-2-yl)carbamoyl]amino]-4-morpholin-4-ylbutanoate
SMILESCC(C)N(C)C(=O)NC(CCN1CCOCC1)C(=O)[O-].[K+]
InChIInChI=1S/C13H25N3O4.K/c1-10(2)15(3)13(19)14-11(12(17)18)4-5-16-6-8-20-9-7-16;/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18);/q;+1/p-1
InChIKeyLTUMSWUOETYZBN-UHFFFAOYSA-M
XLogP-4.12
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 5-4.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium 2-[[methyl(propan-2-yl)carbamoyl]amino]-4-morpholin-4-ylbutanoate?
The IUPAC name of potassium 2-[[methyl(propan-2-yl)carbamoyl]amino]-4-morpholin-4-ylbutanoate (CID 140619520) is potassium 2-[[methyl(propan-2-yl)carbamoyl]amino]-4-morpholin-4-ylbutanoate.
What is the SMILES notation for potassium 2-[[methyl(propan-2-yl)carbamoyl]amino]-4-morpholin-4-ylbutanoate?
The canonical SMILES for potassium 2-[[methyl(propan-2-yl)carbamoyl]amino]-4-morpholin-4-ylbutanoate is CC(C)N(C)C(=O)NC(CCN1CCOCC1)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-[[methyl(propan-2-yl)carbamoyl]amino]-4-morpholin-4-ylbutanoate?
The InChIKey is LTUMSWUOETYZBN-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H25N3O4.K/c1-10(2)15(3)13(19)14-11(12(17)18)4-5-16-6-8-20-9-7-16;/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18);/q;+1/p-1.
What are the key properties of potassium 2-[[methyl(propan-2-yl)carbamoyl]amino]-4-morpholin-4-ylbutanoate?
potassium 2-[[methyl(propan-2-yl)carbamoyl]amino]-4-morpholin-4-ylbutanoate has a molecular weight of 325.45 g/mol, XLogP of -4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[[methyl(propan-2-yl)carbamoyl]amino]-4-morpholin-4-ylbutanoate is sourced from PubChem (CID 140619520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).