cis-(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid

C11H18O4 — CID 122163466

IUPACcis-(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C11H18O4/c1-11(2,3)15-10(14)8-5-4-7(6-8)9(12)13/h7-8H,4-6H2,1-3H3,(H,12,13)/t7-,8+/m0/s1
InChIKeyDLQSTANETGIDCE-JGVFFNPUSA-N
MW214.26 g/mol
LogP1.83
Rot. Bonds2

About cis-(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid (PubChem CID 122163466) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
PubChem CID122163466
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namecis-(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C11H18O4/c1-11(2,3)15-10(14)8-5-4-7(6-8)9(12)13/h7-8H,4-6H2,1-3H3,(H,12,13)/t7-,8+/m0/s1
InChIKeyDLQSTANETGIDCE-JGVFFNPUSA-N
XLogP1.83
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid (CID 122163466) is cis-(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid is CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid?
The InChIKey is DLQSTANETGIDCE-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H18O4/c1-11(2,3)15-10(14)8-5-4-7(6-8)9(12)13/h7-8H,4-6H2,1-3H3,(H,12,13)/t7-,8+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 122163466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).