N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide

C10H20N2O4 — CID 107865565

IUPACN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide
SMILESCCC(CO)(CO)NC(=O)C1CNCCO1
InChIInChI=1S/C10H20N2O4/c1-2-10(6-13,7-14)12-9(15)8-5-11-3-4-16-8/h8,11,13-14H,2-7H2,1H3,(H,12,15)
InChIKeyHBIPAYAJPFUKJR-UHFFFAOYSA-N
MW232.28 g/mol
LogP-1.78
Rot. Bonds5

About N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide (PubChem CID 107865565) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide
PubChem CID107865565
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide
SMILESCCC(CO)(CO)NC(=O)C1CNCCO1
InChIInChI=1S/C10H20N2O4/c1-2-10(6-13,7-14)12-9(15)8-5-11-3-4-16-8/h8,11,13-14H,2-7H2,1H3,(H,12,15)
InChIKeyHBIPAYAJPFUKJR-UHFFFAOYSA-N
XLogP-1.78
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-1.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide (CID 107865565) is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide is CCC(CO)(CO)NC(=O)C1CNCCO1.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide?
The InChIKey is HBIPAYAJPFUKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-2-10(6-13,7-14)12-9(15)8-5-11-3-4-16-8/h8,11,13-14H,2-7H2,1H3,(H,12,15).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide?
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide has a molecular weight of 232.28 g/mol, XLogP of -1.78, 5 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]morpholine-2-carboxamide is sourced from PubChem (CID 107865565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).