N-[(2R)-1-hydroxybutan-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C9H15NO4 — CID 103920042

IUPACN-[(2R)-1-hydroxybutan-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC[C@H](CO)NC(=O)C1=COCCO1
InChIInChI=1S/C9H15NO4/c1-2-7(5-11)10-9(12)8-6-13-3-4-14-8/h6-7,11H,2-5H2,1H3,(H,10,12)/t7-/m1/s1
InChIKeyPQBMGNXVRSBXJO-SSDOTTSWSA-N
MW201.22 g/mol
LogP-0.24
Rot. Bonds4

About N-[(2R)-1-hydroxybutan-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[(2R)-1-hydroxybutan-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 103920042) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID103920042
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC[C@H](CO)NC(=O)C1=COCCO1
InChIInChI=1S/C9H15NO4/c1-2-7(5-11)10-9(12)8-6-13-3-4-14-8/h6-7,11H,2-5H2,1H3,(H,10,12)/t7-/m1/s1
InChIKeyPQBMGNXVRSBXJO-SSDOTTSWSA-N
XLogP-0.24
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1-hydroxybutan-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-(2,3-dihydro-1,4-dioxine-5-carbonylamino)hexanoic acid
CID 82854747
N-(2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 43392740
N-(4-hydroxy-2-methylbutan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 115968733
N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 13088123
2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)acetic acid
CID 28789456
N-[(2S)-1-hydroxybutan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 93033648
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
N-ethyl-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide;hydrochloride
CID 130621806
N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24551070
methyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-2-methylpentanoate
CID 43423946
N-(1-hydroxybutan-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 43418065
N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide
CID 141279449

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 103920042) is N-[(2R)-1-hydroxybutan-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide is CC[C@H](CO)NC(=O)C1=COCCO1.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is PQBMGNXVRSBXJO-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-7(5-11)10-9(12)8-6-13-3-4-14-8/h6-7,11H,2-5H2,1H3,(H,10,12)/t7-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[(2R)-1-hydroxybutan-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 201.22 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 103920042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).