1-amino-3-butoxycyclopentane-1-carboxamide

C10H20N2O2 — CID 79648237

IUPAC1-amino-3-butoxycyclopentane-1-carboxamide
SMILESCCCCOC1CCC(N)(C(N)=O)C1
InChIInChI=1S/C10H20N2O2/c1-2-3-6-14-8-4-5-10(12,7-8)9(11)13/h8H,2-7,12H2,1H3,(H2,11,13)
InChIKeyKHHHJVUZXOYHGW-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.54
Rot. Bonds5

About 1-amino-3-butoxycyclopentane-1-carboxamide

1-amino-3-butoxycyclopentane-1-carboxamide (PubChem CID 79648237) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-amino-3-butoxycyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-butoxycyclopentane-1-carboxamide
PubChem CID79648237
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-amino-3-butoxycyclopentane-1-carboxamide
SMILESCCCCOC1CCC(N)(C(N)=O)C1
InChIInChI=1S/C10H20N2O2/c1-2-3-6-14-8-4-5-10(12,7-8)9(11)13/h8H,2-7,12H2,1H3,(H2,11,13)
InChIKeyKHHHJVUZXOYHGW-UHFFFAOYSA-N
XLogP0.54
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-butoxycyclopentane-1-carboxamide?
The IUPAC name of 1-amino-3-butoxycyclopentane-1-carboxamide (CID 79648237) is 1-amino-3-butoxycyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-3-butoxycyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-3-butoxycyclopentane-1-carboxamide is CCCCOC1CCC(N)(C(N)=O)C1.
What is the InChIKey of 1-amino-3-butoxycyclopentane-1-carboxamide?
The InChIKey is KHHHJVUZXOYHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-3-6-14-8-4-5-10(12,7-8)9(11)13/h8H,2-7,12H2,1H3,(H2,11,13).
What are the key properties of 1-amino-3-butoxycyclopentane-1-carboxamide?
1-amino-3-butoxycyclopentane-1-carboxamide has a molecular weight of 200.28 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-butoxycyclopentane-1-carboxamide is sourced from PubChem (CID 79648237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).