propan-2-yl 6-aminohexanoate

C9H19NO2 — CID 43628492

IUPACpropan-2-yl 6-aminohexanoate
SMILESCC(C)OC(=O)CCCCCN
InChIInChI=1S/C9H19NO2/c1-8(2)12-9(11)6-4-3-5-7-10/h8H,3-7,10H2,1-2H3
InChIKeyGGKHBURSQUYOEM-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.46
Rot. Bonds6

About propan-2-yl 6-aminohexanoate

propan-2-yl 6-aminohexanoate (PubChem CID 43628492) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is propan-2-yl 6-aminohexanoate.

Molecular Properties

Compound Namepropan-2-yl 6-aminohexanoate
PubChem CID43628492
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namepropan-2-yl 6-aminohexanoate
SMILESCC(C)OC(=O)CCCCCN
InChIInChI=1S/C9H19NO2/c1-8(2)12-9(11)6-4-3-5-7-10/h8H,3-7,10H2,1-2H3
InChIKeyGGKHBURSQUYOEM-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 6-aminohexanoate hydrochloride
CID 11499324
Dodecyl 6-aminocaproate
CID 170251
Ethyl 6-aminohexanoate
CID 406972
Methyl 6-aminohexanoate
CID 1810164
Propan-2-yl 7-aminoheptanoate
CID 24629
Ethyl 6-aminohexanoate hydrochloride
CID 458476
epsilon-Aminocaproic acid hexyl ester
CID 3081943
Heptanoic acid, 7-amino-, ethyl ester
CID 12777410
Heptanoic acid, 7-amino-, ethyl ester, hydrochloride (1:1)
CID 12777411
Tert-butyl 6-aminohexanoate hydrochloride
CID 71758555
Ethyl 6-(methylamino)hexanoate hydrochloride
CID 87871170
Octyl 6-aminocaproate
CID 177762

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-aminohexanoate?
The IUPAC name of propan-2-yl 6-aminohexanoate (CID 43628492) is propan-2-yl 6-aminohexanoate.
What is the SMILES notation for propan-2-yl 6-aminohexanoate?
The canonical SMILES for propan-2-yl 6-aminohexanoate is CC(C)OC(=O)CCCCCN.
What is the InChIKey of propan-2-yl 6-aminohexanoate?
The InChIKey is GGKHBURSQUYOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2)12-9(11)6-4-3-5-7-10/h8H,3-7,10H2,1-2H3.
What are the key properties of propan-2-yl 6-aminohexanoate?
propan-2-yl 6-aminohexanoate has a molecular weight of 173.26 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-aminohexanoate is sourced from PubChem (CID 43628492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).