2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetic acid

C14H24O4 — CID 10106461

IUPAC2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetic acid
SMILESCC(C)(C)O[C@H]1CC[C@H](CC(=O)O)[C@]1(C)CC=O
InChIInChI=1S/C14H24O4/c1-13(2,3)18-11-6-5-10(9-12(16)17)14(11,4)7-8-15/h8,10-11H,5-7,9H2,1-4H3,(H,16,17)/t10-,11+,14+/m1/s1
InChIKeyRYFBVUAKELHENC-SUNKGSAMSA-N
MW256.34 g/mol
LogP2.65
Rot. Bonds5

About 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetic acid

2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetic acid (PubChem CID 10106461) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetic acid
PubChem CID10106461
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetic acid
SMILESCC(C)(C)O[C@H]1CC[C@H](CC(=O)O)[C@]1(C)CC=O
InChIInChI=1S/C14H24O4/c1-13(2,3)18-11-6-5-10(9-12(16)17)14(11,4)7-8-15/h8,10-11H,5-7,9H2,1-4H3,(H,16,17)/t10-,11+,14+/m1/s1
InChIKeyRYFBVUAKELHENC-SUNKGSAMSA-N
XLogP2.65
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetic acid with MolForge

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Related Compounds

Methyl 2-(3-hydroxy-2-pentylcyclopentyl)acetate
CID 3766168
Gentiolutelin
CID 102320024
Methyl 6-(2-formyl-5-hydroxycyclopentyl)hexanoate
CID 134979052
2-(2-Formyl-3-hydroxy-3-methylcyclopentyl)propan-2-yl acetate
CID 10198480
2-[(1S,3S,4R)-4-hydroxy-2,2,3-trimethylcyclopentyl]acetic acid
CID 448643
2-[(1R,2S,3R)-2-formyl-3-hydroxy-3-methylcyclopentyl]propan-2-yl acetate
CID 10889659
trans-(1R,2S)-2-[(2S)-2-hydroxypropyl]-4-methoxy-4-methylcyclopentane-1-carboxylic acid
CID 134872457
cis-(1R,2R)-2-[(2R,3S)-3-hydroxybutan-2-yl]-4-methoxy-4-methylcyclopentane-1-carboxylic acid
CID 134872468
1-O-methyl 2-O-propan-2-yl (1S,2S,4R)-4-hydroxy-4-(4-hydroxy-2-methylbutan-2-yl)cyclopentane-1,2-dicarboxylate
CID 138984765
(5R,7S,8S)-4,4-dimethyl-8-propan-2-yloxycarbonyl-1-oxaspiro[4.4]nonane-7-carboxylic acid
CID 138984766
Ethyl 2-(3-hydroxy-2,2,4-trimethylcyclopentyl)acetate
CID 262813
methyl 7-(3a-methyl-2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-4-yl)-7-hydroxyheptanoate
CID 289608

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetic acid?
The IUPAC name of 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetic acid (CID 10106461) is 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetic acid is CC(C)(C)O[C@H]1CC[C@H](CC(=O)O)[C@]1(C)CC=O.
What is the InChIKey of 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetic acid?
The InChIKey is RYFBVUAKELHENC-SUNKGSAMSA-N. The full InChI is InChI=1S/C14H24O4/c1-13(2,3)18-11-6-5-10(9-12(16)17)14(11,4)7-8-15/h8,10-11H,5-7,9H2,1-4H3,(H,16,17)/t10-,11+,14+/m1/s1.
What are the key properties of 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetic acid?
2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetic acid has a molecular weight of 256.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetic acid is sourced from PubChem (CID 10106461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).