(1-methylcyclopentyl) 3-aminopropanoate

C9H17NO2 — CID 21016088

IUPAC(1-methylcyclopentyl) 3-aminopropanoate
SMILESCC1(OC(=O)CCN)CCCC1
InChIInChI=1S/C9H17NO2/c1-9(5-2-3-6-9)12-8(11)4-7-10/h2-7,10H2,1H3
InChIKeyNHOURADVEYPSGB-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.21
Rot. Bonds3

About (1-methylcyclopentyl) 3-aminopropanoate

(1-methylcyclopentyl) 3-aminopropanoate (PubChem CID 21016088) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (1-methylcyclopentyl) 3-aminopropanoate.

Molecular Properties

Compound Name(1-methylcyclopentyl) 3-aminopropanoate
PubChem CID21016088
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(1-methylcyclopentyl) 3-aminopropanoate
SMILESCC1(OC(=O)CCN)CCCC1
InChIInChI=1S/C9H17NO2/c1-9(5-2-3-6-9)12-8(11)4-7-10/h2-7,10H2,1H3
InChIKeyNHOURADVEYPSGB-UHFFFAOYSA-N
XLogP1.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopentyl) 3-aminopropanoate?
The IUPAC name of (1-methylcyclopentyl) 3-aminopropanoate (CID 21016088) is (1-methylcyclopentyl) 3-aminopropanoate.
What is the SMILES notation for (1-methylcyclopentyl) 3-aminopropanoate?
The canonical SMILES for (1-methylcyclopentyl) 3-aminopropanoate is CC1(OC(=O)CCN)CCCC1.
What is the InChIKey of (1-methylcyclopentyl) 3-aminopropanoate?
The InChIKey is NHOURADVEYPSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(5-2-3-6-9)12-8(11)4-7-10/h2-7,10H2,1H3.
What are the key properties of (1-methylcyclopentyl) 3-aminopropanoate?
(1-methylcyclopentyl) 3-aminopropanoate has a molecular weight of 171.24 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopentyl) 3-aminopropanoate is sourced from PubChem (CID 21016088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).