3-amino-N-(1,4-dioxan-2-ylmethyl)cyclopentane-1-carboxamide

C11H20N2O3 — CID 66007940

IUPAC3-amino-N-(1,4-dioxan-2-ylmethyl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCC2COCCO2)C1
InChIInChI=1S/C11H20N2O3/c12-9-2-1-8(5-9)11(14)13-6-10-7-15-3-4-16-10/h8-10H,1-7,12H2,(H,13,14)
InChIKeyHDXATWWJNOPGRC-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.35
Rot. Bonds3

About 3-amino-N-(1,4-dioxan-2-ylmethyl)cyclopentane-1-carboxamide

3-amino-N-(1,4-dioxan-2-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 66007940) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-amino-N-(1,4-dioxan-2-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,4-dioxan-2-ylmethyl)cyclopentane-1-carboxamide
PubChem CID66007940
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-amino-N-(1,4-dioxan-2-ylmethyl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCC2COCCO2)C1
InChIInChI=1S/C11H20N2O3/c12-9-2-1-8(5-9)11(14)13-6-10-7-15-3-4-16-10/h8-10H,1-7,12H2,(H,13,14)
InChIKeyHDXATWWJNOPGRC-UHFFFAOYSA-N
XLogP-0.35
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,4-dioxan-2-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(1,4-dioxan-2-ylmethyl)cyclopentane-1-carboxamide (CID 66007940) is 3-amino-N-(1,4-dioxan-2-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(1,4-dioxan-2-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(1,4-dioxan-2-ylmethyl)cyclopentane-1-carboxamide is NC1CCC(C(=O)NCC2COCCO2)C1.
What is the InChIKey of 3-amino-N-(1,4-dioxan-2-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is HDXATWWJNOPGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c12-9-2-1-8(5-9)11(14)13-6-10-7-15-3-4-16-10/h8-10H,1-7,12H2,(H,13,14).
What are the key properties of 3-amino-N-(1,4-dioxan-2-ylmethyl)cyclopentane-1-carboxamide?
3-amino-N-(1,4-dioxan-2-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 228.29 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,4-dioxan-2-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 66007940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).