N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(methylamino)oxolane-3-carboxamide

C11H22N2O4 — CID 114010610

IUPACN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(methylamino)oxolane-3-carboxamide
SMILESCCC(CO)(CO)NC(=O)C1COCC1NC
InChIInChI=1S/C11H22N2O4/c1-3-11(6-14,7-15)13-10(16)8-4-17-5-9(8)12-2/h8-9,12,14-15H,3-7H2,1-2H3,(H,13,16)
InChIKeyUWXCSONRHPUMKI-UHFFFAOYSA-N
MW246.31 g/mol
LogP-1.53
Rot. Bonds6

About N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(methylamino)oxolane-3-carboxamide

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(methylamino)oxolane-3-carboxamide (PubChem CID 114010610) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(methylamino)oxolane-3-carboxamide
PubChem CID114010610
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(methylamino)oxolane-3-carboxamide
SMILESCCC(CO)(CO)NC(=O)C1COCC1NC
InChIInChI=1S/C11H22N2O4/c1-3-11(6-14,7-15)13-10(16)8-4-17-5-9(8)12-2/h8-9,12,14-15H,3-7H2,1-2H3,(H,13,16)
InChIKeyUWXCSONRHPUMKI-UHFFFAOYSA-N
XLogP-1.53
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(hydroxymethyl)pentan-3-yl]-4-(methylamino)oxolane-3-carboxamide
CID 66265856
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(methylamino)oxolane-3-carboxamide
CID 114155776
4-(methylamino)-N-piperidin-1-yloxolane-3-carboxamide
CID 83021088
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide
CID 59903021
N-hexyl-4-(methylamino)oxolane-3-carboxamide
CID 66266175
N-(1-hydroxy-3-methylbutan-2-yl)-4-(methylamino)oxolane-3-carboxamide
CID 79249718
(2R)-3-hydroxy-2-[[4-(methylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 80750308
N,N-diethyl-4-(methylamino)oxolane-3-carboxamide
CID 66265754
N-(5-hydroxy-2,2-dimethylpentyl)-4-(methylamino)oxolane-3-carboxamide
CID 106148282
4-(methylamino)-N-(2-piperidin-1-ylpropyl)oxolane-3-carboxamide
CID 66267013
2-ethoxy-1-[4-(methylamino)oxolan-3-yl]ethanone
CID 116561302
N-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide
CID 66267744

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(methylamino)oxolane-3-carboxamide (CID 114010610) is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(methylamino)oxolane-3-carboxamide is CCC(CO)(CO)NC(=O)C1COCC1NC.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is UWXCSONRHPUMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-3-11(6-14,7-15)13-10(16)8-4-17-5-9(8)12-2/h8-9,12,14-15H,3-7H2,1-2H3,(H,13,16).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(methylamino)oxolane-3-carboxamide?
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of -1.53, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 114010610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).