(1-aminocyclopentyl)methyl ethyl carbonate

C9H17NO3 — CID 79338258

IUPAC(1-aminocyclopentyl)methyl ethyl carbonate
SMILESCCOC(=O)OCC1(N)CCCC1
InChIInChI=1S/C9H17NO3/c1-2-12-8(11)13-7-9(10)5-3-4-6-9/h2-7,10H2,1H3
InChIKeyAJFROQHANGNJTA-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.43
Rot. Bonds3

About (1-aminocyclopentyl)methyl ethyl carbonate

(1-aminocyclopentyl)methyl ethyl carbonate (PubChem CID 79338258) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (1-aminocyclopentyl)methyl ethyl carbonate.

Molecular Properties

Compound Name(1-aminocyclopentyl)methyl ethyl carbonate
PubChem CID79338258
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(1-aminocyclopentyl)methyl ethyl carbonate
SMILESCCOC(=O)OCC1(N)CCCC1
InChIInChI=1S/C9H17NO3/c1-2-12-8(11)13-7-9(10)5-3-4-6-9/h2-7,10H2,1H3
InChIKeyAJFROQHANGNJTA-UHFFFAOYSA-N
XLogP1.43
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)methyl ethyl carbonate?
The IUPAC name of (1-aminocyclopentyl)methyl ethyl carbonate (CID 79338258) is (1-aminocyclopentyl)methyl ethyl carbonate.
What is the SMILES notation for (1-aminocyclopentyl)methyl ethyl carbonate?
The canonical SMILES for (1-aminocyclopentyl)methyl ethyl carbonate is CCOC(=O)OCC1(N)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)methyl ethyl carbonate?
The InChIKey is AJFROQHANGNJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-12-8(11)13-7-9(10)5-3-4-6-9/h2-7,10H2,1H3.
What are the key properties of (1-aminocyclopentyl)methyl ethyl carbonate?
(1-aminocyclopentyl)methyl ethyl carbonate has a molecular weight of 187.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)methyl ethyl carbonate is sourced from PubChem (CID 79338258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).