1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentane-1-carboxylic acid

C16H28O4 — CID 11369628

IUPAC1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentane-1-carboxylic acid
SMILESCCC[C@H](CC1(C(=O)O)CCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H28O4/c1-5-8-12(13(17)20-15(2,3)4)11-16(14(18)19)9-6-7-10-16/h12H,5-11H2,1-4H3,(H,18,19)/t12-/m1/s1
InChIKeyOTMYJDCCQQZEOM-GFCCVEGCSA-N
MW284.40 g/mol
LogP3.78
Rot. Bonds6

About 1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentane-1-carboxylic acid

1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentane-1-carboxylic acid (PubChem CID 11369628) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentane-1-carboxylic acid
PubChem CID11369628
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentane-1-carboxylic acid
SMILESCCC[C@H](CC1(C(=O)O)CCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H28O4/c1-5-8-12(13(17)20-15(2,3)4)11-16(14(18)19)9-6-7-10-16/h12H,5-11H2,1-4H3,(H,18,19)/t12-/m1/s1
InChIKeyOTMYJDCCQQZEOM-GFCCVEGCSA-N
XLogP3.78
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentane-1-carboxylic acid (CID 11369628) is 1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentane-1-carboxylic acid is CCC[C@H](CC1(C(=O)O)CCCC1)C(=O)OC(C)(C)C.
What is the InChIKey of 1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentane-1-carboxylic acid?
The InChIKey is OTMYJDCCQQZEOM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H28O4/c1-5-8-12(13(17)20-15(2,3)4)11-16(14(18)19)9-6-7-10-16/h12H,5-11H2,1-4H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentane-1-carboxylic acid?
1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 11369628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).