2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide

C13H26N2O3 — CID 114164661

IUPAC2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
SMILESCOCCC(C)(O)CNC(=O)CC1(N)CCCC1
InChIInChI=1S/C13H26N2O3/c1-12(17,7-8-18-2)10-15-11(16)9-13(14)5-3-4-6-13/h17H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyANUBZQHCSQQYDE-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.55
Rot. Bonds7

About 2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide

2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide (PubChem CID 114164661) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
PubChem CID114164661
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
SMILESCOCCC(C)(O)CNC(=O)CC1(N)CCCC1
InChIInChI=1S/C13H26N2O3/c1-12(17,7-8-18-2)10-15-11(16)9-13(14)5-3-4-6-13/h17H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyANUBZQHCSQQYDE-UHFFFAOYSA-N
XLogP0.55
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide?
The IUPAC name of 2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide (CID 114164661) is 2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide?
The canonical SMILES for 2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide is COCCC(C)(O)CNC(=O)CC1(N)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide?
The InChIKey is ANUBZQHCSQQYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-12(17,7-8-18-2)10-15-11(16)9-13(14)5-3-4-6-13/h17H,3-10,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide?
2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide has a molecular weight of 258.36 g/mol, XLogP of 0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide is sourced from PubChem (CID 114164661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).