N-[3-(hydroxymethyl)pentan-3-yl]-4-(methylamino)oxolane-3-carboxamide

C12H24N2O3 — CID 66265856

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-4-(methylamino)oxolane-3-carboxamide
SMILESCCC(CC)(CO)NC(=O)C1COCC1NC
InChIInChI=1S/C12H24N2O3/c1-4-12(5-2,8-15)14-11(16)9-6-17-7-10(9)13-3/h9-10,13,15H,4-8H2,1-3H3,(H,14,16)
InChIKeyORGZNTFTKMOQJT-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.11
Rot. Bonds6

About N-[3-(hydroxymethyl)pentan-3-yl]-4-(methylamino)oxolane-3-carboxamide

N-[3-(hydroxymethyl)pentan-3-yl]-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66265856) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-4-(methylamino)oxolane-3-carboxamide
PubChem CID66265856
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-4-(methylamino)oxolane-3-carboxamide
SMILESCCC(CC)(CO)NC(=O)C1COCC1NC
InChIInChI=1S/C12H24N2O3/c1-4-12(5-2,8-15)14-11(16)9-6-17-7-10(9)13-3/h9-10,13,15H,4-8H2,1-3H3,(H,14,16)
InChIKeyORGZNTFTKMOQJT-UHFFFAOYSA-N
XLogP-0.11
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-4-(methylamino)oxolane-3-carboxamide (CID 66265856) is N-[3-(hydroxymethyl)pentan-3-yl]-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-4-(methylamino)oxolane-3-carboxamide is CCC(CC)(CO)NC(=O)C1COCC1NC.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is ORGZNTFTKMOQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-12(5-2,8-15)14-11(16)9-6-17-7-10(9)13-3/h9-10,13,15H,4-8H2,1-3H3,(H,14,16).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-4-(methylamino)oxolane-3-carboxamide?
N-[3-(hydroxymethyl)pentan-3-yl]-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 244.33 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66265856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).