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

C14H24O4 — CID 59077113

IUPACtrans-(1R,3S)-2,2,3-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@@]1(C)CC[C@@H](C(=O)O)C1(C)C
InChIInChI=1S/C14H24O4/c1-12(2,3)18-11(17)14(6)8-7-9(10(15)16)13(14,4)5/h9H,7-8H2,1-6H3,(H,15,16)/t9-,14+/m0/s1
InChIKeyBBWRIYPVWGWPSD-LKFCYVNXSA-N
MW256.34 g/mol
LogP2.86
Rot. Bonds2

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

trans-(1R,3S)-2,2,3-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid (PubChem CID 59077113) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is trans-(1R,3S)-2,2,3-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,3S)-2,2,3-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
PubChem CID59077113
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Nametrans-(1R,3S)-2,2,3-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@@]1(C)CC[C@@H](C(=O)O)C1(C)C
InChIInChI=1S/C14H24O4/c1-12(2,3)18-11(17)14(6)8-7-9(10(15)16)13(14,4)5/h9H,7-8H2,1-6H3,(H,15,16)/t9-,14+/m0/s1
InChIKeyBBWRIYPVWGWPSD-LKFCYVNXSA-N
XLogP2.86
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1R,3S)-2,2,3-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]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

Related Compounds

1,2,2-Trimethyl-1,3-cyclopentanedicarboxylic acid
CID 21491
Camphoric acid, (-)-
CID 219463
Camphoric Acid
CID 101807
Dimethyl 1,2,2-trimethyl-1,3-cyclopentanedicarboxylate
CID 348846
(1R,2R,3S,1'R)-Nepetalinic acid
CID 15560389
3-(Methoxycarbonyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 274491
3-(Methoxycarbonyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 2736737
(1R,2S,4R)-4-methoxycarbonyl-2,3,3-trimethylcyclopentane-1-carboxylic acid
CID 24982151
(1S,2R,4S)-4-methoxycarbonyl-2,3,3-trimethylcyclopentane-1-carboxylic acid
CID 15539261
(2,2,3-Trimethyl-4-oxocyclopentyl)acetic acid
CID 57455196
(1R,2R,5S)-2-[(1S)-1-carboxyethyl]-5-methylcyclopentane-1-carboxylic acid
CID 131215292
dimethyl (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 2770979

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-2,2,3-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,3S)-2,2,3-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid (CID 59077113) is trans-(1R,3S)-2,2,3-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,3S)-2,2,3-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,3S)-2,2,3-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid is CC(C)(C)OC(=O)[C@@]1(C)CC[C@@H](C(=O)O)C1(C)C.
What is the InChIKey of trans-(1R,3S)-2,2,3-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid?
The InChIKey is BBWRIYPVWGWPSD-LKFCYVNXSA-N. The full InChI is InChI=1S/C14H24O4/c1-12(2,3)18-11(17)14(6)8-7-9(10(15)16)13(14,4)5/h9H,7-8H2,1-6H3,(H,15,16)/t9-,14+/m0/s1.
What are the key properties of trans-(1R,3S)-2,2,3-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid?
trans-(1R,3S)-2,2,3-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid has a molecular weight of 256.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-2,2,3-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 59077113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).