tert-butyl (3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate

C11H20O3 — CID 146191279

IUPACtert-butyl (3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CC[C@H](CO)C1
InChIInChI=1S/C11H20O3/c1-11(2,3)14-10(13)9-5-4-8(6-9)7-12/h8-9,12H,4-7H2,1-3H3/t8-,9?/m0/s1
InChIKeyLUNDLKGGAIWLSU-IENPIDJESA-N
MW200.28 g/mol
LogP1.74
Rot. Bonds2

About tert-butyl (3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate

tert-butyl (3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate (PubChem CID 146191279) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl (3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate
PubChem CID146191279
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nametert-butyl (3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CC[C@H](CO)C1
InChIInChI=1S/C11H20O3/c1-11(2,3)14-10(13)9-5-4-8(6-9)7-12/h8-9,12H,4-7H2,1-3H3/t8-,9?/m0/s1
InChIKeyLUNDLKGGAIWLSU-IENPIDJESA-N
XLogP1.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-Dimethyloxan-4-yl)acetic acid
CID 12652793
rac-tert-butyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate
CID 129405363
rac-methyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate
CID 13425819
2-Methyl-3-(oxolan-3-yl)propanoic acid
CID 79418831
2,2-Dimethyl-3-(oxolan-3-yl)propanoic acid
CID 79425561
3-(Ethoxycarbonyl)-1-methylcyclopentane-1-carboxylic acid
CID 121553409
rac-(1R,3S)-3-((tert-butoxy)carbonyl)cyclopentane-1-carboxylic acid
CID 122163466
Tert-butyl 2-(2-hydroxyethyl)cyclopentane-1-carboxylate
CID 135011724
Methyl 3-(hydroxymethyl)cyclopentanecarboxylate
CID 13425818
Tert-butyl 5-hydroxy-2-methylhexanoate
CID 13808209
tert-Butyl 3-hydroxycyclopentanecarboxylate
CID 14009988
Tert-butyl trans-3-hydroxycyclopentanecarboxylate
CID 14009990

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate (CID 146191279) is tert-butyl (3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate is CC(C)(C)OC(=O)C1CC[C@H](CO)C1.
What is the InChIKey of tert-butyl (3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate?
The InChIKey is LUNDLKGGAIWLSU-IENPIDJESA-N. The full InChI is InChI=1S/C11H20O3/c1-11(2,3)14-10(13)9-5-4-8(6-9)7-12/h8-9,12H,4-7H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of tert-butyl (3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate?
tert-butyl (3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 146191279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).