1-amino-3-propoxycyclopentane-1-carboxamide

C9H18N2O2 — CID 79648544

IUPAC1-amino-3-propoxycyclopentane-1-carboxamide
SMILESCCCOC1CCC(N)(C(N)=O)C1
InChIInChI=1S/C9H18N2O2/c1-2-5-13-7-3-4-9(11,6-7)8(10)12/h7H,2-6,11H2,1H3,(H2,10,12)
InChIKeyVTNCIXSDXHYBND-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.15
Rot. Bonds4

About 1-amino-3-propoxycyclopentane-1-carboxamide

1-amino-3-propoxycyclopentane-1-carboxamide (PubChem CID 79648544) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-amino-3-propoxycyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-propoxycyclopentane-1-carboxamide
PubChem CID79648544
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-amino-3-propoxycyclopentane-1-carboxamide
SMILESCCCOC1CCC(N)(C(N)=O)C1
InChIInChI=1S/C9H18N2O2/c1-2-5-13-7-3-4-9(11,6-7)8(10)12/h7H,2-6,11H2,1H3,(H2,10,12)
InChIKeyVTNCIXSDXHYBND-UHFFFAOYSA-N
XLogP0.15
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-propoxycyclopentane-1-carboxamide?
The IUPAC name of 1-amino-3-propoxycyclopentane-1-carboxamide (CID 79648544) is 1-amino-3-propoxycyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-3-propoxycyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-3-propoxycyclopentane-1-carboxamide is CCCOC1CCC(N)(C(N)=O)C1.
What is the InChIKey of 1-amino-3-propoxycyclopentane-1-carboxamide?
The InChIKey is VTNCIXSDXHYBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-5-13-7-3-4-9(11,6-7)8(10)12/h7H,2-6,11H2,1H3,(H2,10,12).
What are the key properties of 1-amino-3-propoxycyclopentane-1-carboxamide?
1-amino-3-propoxycyclopentane-1-carboxamide has a molecular weight of 186.25 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-propoxycyclopentane-1-carboxamide is sourced from PubChem (CID 79648544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).