(1S,2S,5R)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylic acid

C10H18O2 — CID 7054177

IUPAC(1S,2S,5R)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylic acid
SMILESCC(C)[C@H]1CC[C@H](C)[C@@H]1C(=O)O
InChIInChI=1S/C10H18O2/c1-6(2)8-5-4-7(3)9(8)10(11)12/h6-9H,4-5H2,1-3H3,(H,11,12)/t7-,8+,9-/m0/s1
InChIKeyNZTAYUZDCFZKGA-YIZRAAEISA-N
MW170.25 g/mol
LogP2.39
Rot. Bonds2

About (1S,2S,5R)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylic acid

(1S,2S,5R)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylic acid (PubChem CID 7054177) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (1S,2S,5R)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1S,2S,5R)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylic acid
PubChem CID7054177
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(1S,2S,5R)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylic acid
SMILESCC(C)[C@H]1CC[C@H](C)[C@@H]1C(=O)O
InChIInChI=1S/C10H18O2/c1-6(2)8-5-4-7(3)9(8)10(11)12/h6-9H,4-5H2,1-3H3,(H,11,12)/t7-,8+,9-/m0/s1
InChIKeyNZTAYUZDCFZKGA-YIZRAAEISA-N
XLogP2.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylic acid?
The IUPAC name of (1S,2S,5R)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylic acid (CID 7054177) is (1S,2S,5R)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylic acid.
What is the SMILES notation for (1S,2S,5R)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylic acid?
The canonical SMILES for (1S,2S,5R)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylic acid is CC(C)[C@H]1CC[C@H](C)[C@@H]1C(=O)O.
What is the InChIKey of (1S,2S,5R)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylic acid?
The InChIKey is NZTAYUZDCFZKGA-YIZRAAEISA-N. The full InChI is InChI=1S/C10H18O2/c1-6(2)8-5-4-7(3)9(8)10(11)12/h6-9H,4-5H2,1-3H3,(H,11,12)/t7-,8+,9-/m0/s1.
What are the key properties of (1S,2S,5R)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylic acid?
(1S,2S,5R)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylic acid has a molecular weight of 170.25 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 7054177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).