N-(1-aminopropan-2-yl)oxane-4-carboxamide

C9H18N2O2 — CID 19797577

IUPACN-(1-aminopropan-2-yl)oxane-4-carboxamide
SMILESCC(CN)NC(=O)C1CCOCC1
InChIInChI=1S/C9H18N2O2/c1-7(6-10)11-9(12)8-2-4-13-5-3-8/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyMHAHIJTYKRZQFB-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.12
Rot. Bonds3

About N-(1-aminopropan-2-yl)oxane-4-carboxamide

N-(1-aminopropan-2-yl)oxane-4-carboxamide (PubChem CID 19797577) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)oxane-4-carboxamide
PubChem CID19797577
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-(1-aminopropan-2-yl)oxane-4-carboxamide
SMILESCC(CN)NC(=O)C1CCOCC1
InChIInChI=1S/C9H18N2O2/c1-7(6-10)11-9(12)8-2-4-13-5-3-8/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyMHAHIJTYKRZQFB-UHFFFAOYSA-N
XLogP-0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)oxane-4-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)oxane-4-carboxamide (CID 19797577) is N-(1-aminopropan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)oxane-4-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)oxane-4-carboxamide is CC(CN)NC(=O)C1CCOCC1.
What is the InChIKey of N-(1-aminopropan-2-yl)oxane-4-carboxamide?
The InChIKey is MHAHIJTYKRZQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(6-10)11-9(12)8-2-4-13-5-3-8/h7-8H,2-6,10H2,1H3,(H,11,12).
What are the key properties of N-(1-aminopropan-2-yl)oxane-4-carboxamide?
N-(1-aminopropan-2-yl)oxane-4-carboxamide has a molecular weight of 186.25 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 19797577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).