2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid

C8H12O4 — CID 11401026

IUPAC2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
SMILESO=C(O)C[C@H]1CC[C@H]1CC(=O)O
InChIInChI=1S/C8H12O4/c9-7(10)3-5-1-2-6(5)4-8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6+
InChIKeyWZLUTZHDEIZLRE-OLQVQODUSA-N
MW172.18 g/mol
LogP0.96
Rot. Bonds4

About 2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid

2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid (PubChem CID 11401026) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
PubChem CID11401026
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
SMILESO=C(O)C[C@H]1CC[C@H]1CC(=O)O
InChIInChI=1S/C8H12O4/c9-7(10)3-5-1-2-6(5)4-8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6+
InChIKeyWZLUTZHDEIZLRE-OLQVQODUSA-N
XLogP0.96
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(aminomethyl)cyclobutyl]acetic acid
CID 129286668
3-[2-(carboxymethyl)cyclopentyl]propanoic acid
CID 13359518
2-(2,4-dimethylcyclohexyl)acetic acid
CID 64774330
2-[(1S,2R)-2-hydroxycyclopentyl]acetic acid
CID 22800145
2-[(1R,2R)-2-aminocyclopropyl]acetic acid;hydrochloride
CID 71769500
2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride
CID 71769504
2-[(1R,2S)-2-fluorocyclopropyl]acetic acid
CID 162187891
2-(2-bromocyclopropyl)acetic acid
CID 12943906
2-[(1S,2S)-2-acetamidocyclobutyl]acetic acid
CID 178194580
2-[(1R,2S)-2-methylcyclohexyl]acetic acid
CID 41097348
2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetic acid
CID 118622769
2-[(2R)-2-formylcyclopentyl]acetic acid
CID 130646280

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid?
The IUPAC name of 2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid (CID 11401026) is 2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid?
The canonical SMILES for 2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid is O=C(O)C[C@H]1CC[C@H]1CC(=O)O.
What is the InChIKey of 2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid?
The InChIKey is WZLUTZHDEIZLRE-OLQVQODUSA-N. The full InChI is InChI=1S/C8H12O4/c9-7(10)3-5-1-2-6(5)4-8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6+.
What are the key properties of 2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid?
2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid has a molecular weight of 172.18 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid is sourced from PubChem (CID 11401026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).