2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide

C13H26N2O3 — CID 106254673

IUPAC2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide
SMILESCOCCC(C)(O)CNC(=O)C1(C)CCCC1N
InChIInChI=1S/C13H26N2O3/c1-12(17,7-8-18-3)9-15-11(16)13(2)6-4-5-10(13)14/h10,17H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyYDVKDILBWIGXBO-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.41
Rot. Bonds6

About 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide

2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 106254673) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide
PubChem CID106254673
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide
SMILESCOCCC(C)(O)CNC(=O)C1(C)CCCC1N
InChIInChI=1S/C13H26N2O3/c1-12(17,7-8-18-3)9-15-11(16)13(2)6-4-5-10(13)14/h10,17H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyYDVKDILBWIGXBO-UHFFFAOYSA-N
XLogP0.41
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide
CID 82767784
2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 114164661
2-amino-N-(2-ethoxyethyl)-1-methylcyclopentane-1-carboxamide
CID 82764809
6-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106254794
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1-methylcyclopentane-1-carboxamide
CID 107152792
2-amino-1-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 82766043
N-(1-adamantylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide
CID 82758318
2-amino-N-(3-ethylpentan-3-yl)-1-methylcyclopentane-1-carboxamide
CID 82767363
2-amino-N-(4-aminobutyl)-1-methylcyclopentane-1-carboxamide
CID 82767781
N-(2-hydroxy-4-methoxy-2-methylbutyl)azetidine-3-carboxamide
CID 106254571
2-amino-N-(2,3-dihydroxypropyl)-1-methylcyclopentane-1-carboxamide
CID 82768544
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylcyclopentane-1-carboxamide
CID 82765458

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide (CID 106254673) is 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide is COCCC(C)(O)CNC(=O)C1(C)CCCC1N.
What is the InChIKey of 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is YDVKDILBWIGXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-12(17,7-8-18-3)9-15-11(16)13(2)6-4-5-10(13)14/h10,17H,4-9,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide?
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 106254673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).