N-(3-amino-2-methylpropyl)oxane-3-carboxamide

C10H20N2O2 — CID 63011321

IUPACN-(3-amino-2-methylpropyl)oxane-3-carboxamide
SMILESCC(CN)CNC(=O)C1CCCOC1
InChIInChI=1S/C10H20N2O2/c1-8(5-11)6-12-10(13)9-3-2-4-14-7-9/h8-9H,2-7,11H2,1H3,(H,12,13)
InChIKeyJVUHCEMDXFIICK-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.12
Rot. Bonds4

About N-(3-amino-2-methylpropyl)oxane-3-carboxamide

N-(3-amino-2-methylpropyl)oxane-3-carboxamide (PubChem CID 63011321) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)oxane-3-carboxamide
PubChem CID63011321
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-(3-amino-2-methylpropyl)oxane-3-carboxamide
SMILESCC(CN)CNC(=O)C1CCCOC1
InChIInChI=1S/C10H20N2O2/c1-8(5-11)6-12-10(13)9-3-2-4-14-7-9/h8-9H,2-7,11H2,1H3,(H,12,13)
InChIKeyJVUHCEMDXFIICK-UHFFFAOYSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-4-methylpentyl)oxane-3-carboxamide
CID 106153124
N-[(2R)-1-aminopropan-2-yl]oxane-3-carboxamide
CID 104873146
N-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide
CID 76982084
N-(3-amino-2-methylpropyl)-1,4-dioxane-2-carboxamide
CID 62798849
2-methoxy-3-(oxane-3-carbonylamino)propanoic acid
CID 106107266
N-[(2R)-2-hydroxypropyl]oxolane-3-carboxamide
CID 83032356
N-(3-amino-2-methylpropyl)-5-methyloxolane-3-carboxamide
CID 114823515
N-(1-aminopentan-2-yl)oxane-3-carboxamide
CID 65191424
N-(3-amino-3-sulfanylidenepropyl)oxane-3-carboxamide
CID 63014889
N-[2-(methylamino)propyl]oxolane-3-carboxamide
CID 103512805
N-[[1-(aminomethyl)cyclopentyl]methyl]oxane-3-carboxamide
CID 115365575
N-(2-hydroxy-2,4-dimethylpentyl)oxane-3-carboxamide
CID 66181259

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)oxane-3-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)oxane-3-carboxamide (CID 63011321) is N-(3-amino-2-methylpropyl)oxane-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)oxane-3-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)oxane-3-carboxamide is CC(CN)CNC(=O)C1CCCOC1.
What is the InChIKey of N-(3-amino-2-methylpropyl)oxane-3-carboxamide?
The InChIKey is JVUHCEMDXFIICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(5-11)6-12-10(13)9-3-2-4-14-7-9/h8-9H,2-7,11H2,1H3,(H,12,13).
What are the key properties of N-(3-amino-2-methylpropyl)oxane-3-carboxamide?
N-(3-amino-2-methylpropyl)oxane-3-carboxamide has a molecular weight of 200.28 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)oxane-3-carboxamide is sourced from PubChem (CID 63011321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).