cis-(1R,4S)-4-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid

C13H22O5 — CID 146437976

IUPACcis-(1R,4S)-4-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
SMILESCOC[C@@H]1CC(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1
InChIInChI=1S/C13H22O5/c1-13(2,3)18-12(16)10-6-8(7-17-4)5-9(10)11(14)15/h8-10H,5-7H2,1-4H3,(H,14,15)/t8-,9+,10?/m0/s1
InChIKeyYHMZXQMWSZKYKH-QIIDTADFSA-N
MW258.31 g/mol
LogP1.70
Rot. Bonds4

About cis-(1R,4S)-4-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid

cis-(1R,4S)-4-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid (PubChem CID 146437976) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is cis-(1R,4S)-4-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,4S)-4-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
PubChem CID146437976
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Namecis-(1R,4S)-4-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
SMILESCOC[C@@H]1CC(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1
InChIInChI=1S/C13H22O5/c1-13(2,3)18-12(16)10-6-8(7-17-4)5-9(10)11(14)15/h8-10H,5-7H2,1-4H3,(H,14,15)/t8-,9+,10?/m0/s1
InChIKeyYHMZXQMWSZKYKH-QIIDTADFSA-N
XLogP1.70
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,4S)-4-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1R,4S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
CID 118566012
trans-(1R,2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1,2-dicarboxylic acid
CID 168800648
5-(2-methoxy-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 67304231
4-[(2-methylpropan-2-yl)oxycarbonyl]thiolane-3-carboxylic acid
CID 18953003
(2R,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 166638370
tert-butyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 90901644
tert-butyl 2-formylcyclobutane-1-carboxylate
CID 165438429
tert-butyl 2-ethylcyclopropane-1-carboxylate
CID 58558860
3-[(2-methylpropan-2-yl)oxycarbonyl]-4-sulfanylcyclohexane-1-carboxylic acid
CID 138570703
ditert-butyl (1R,3S,4S,6R)-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 10924504
3,5-bis[(2-methylpropan-2-yl)oxycarbonyl]cyclohexane-1-carboxylic acid
CID 23443973
2-[4-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 63971917

Frequently Asked Questions

What is the IUPAC name of cis-(1R,4S)-4-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,4S)-4-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid (CID 146437976) is cis-(1R,4S)-4-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,4S)-4-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,4S)-4-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid is COC[C@@H]1CC(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,4S)-4-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid?
The InChIKey is YHMZXQMWSZKYKH-QIIDTADFSA-N. The full InChI is InChI=1S/C13H22O5/c1-13(2,3)18-12(16)10-6-8(7-17-4)5-9(10)11(14)15/h8-10H,5-7H2,1-4H3,(H,14,15)/t8-,9+,10?/m0/s1.
What are the key properties of cis-(1R,4S)-4-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid?
cis-(1R,4S)-4-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid has a molecular weight of 258.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,4S)-4-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 146437976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).