(1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid

C8H12O4 — CID 146210075

IUPAC(1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)CC1CC[C@H](C(=O)O)C1
InChIInChI=1S/C8H12O4/c9-7(10)4-5-1-2-6(3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5?,6-/m0/s1
InChIKeyXCWAHKNNDFNCCV-GDVGLLTNSA-N
MW172.18 g/mol
LogP0.96
Rot. Bonds3

About (1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid

(1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid (PubChem CID 146210075) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is (1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid
PubChem CID146210075
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name(1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)CC1CC[C@H](C(=O)O)C1
InChIInChI=1S/C8H12O4/c9-7(10)4-5-1-2-6(3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5?,6-/m0/s1
InChIKeyXCWAHKNNDFNCCV-GDVGLLTNSA-N
XLogP0.96
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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-(3,4-diaminocyclohexyl)acetic acid
CID 77276745
3-(2-fluoroethyl)cyclopentane-1-carboxylic acid
CID 84716733
2-[3-(hydroxymethyl)cyclopentyl]acetic acid
CID 105430907
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
cis-(1R,3S)-3-phenacylcyclopentane-1-carboxylic acid
CID 24722332
2-[(1S,3R)-3-fluorocyclopentyl]acetic acid
CID 105428900
2-[(1R,3R)-3-fluorocyclopentyl]acetic acid
CID 135389382
2-[(1R,3R)-3-aminocyclopentyl]acetic acid;hydrochloride
CID 170154863
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
4-(cyclopropylmethyl)cyclohexane-1-carboxylic acid
CID 126845693
3-(piperidin-1-ylmethyl)cyclopentane-1-carboxylic acid
CID 83820985
3-(diethylaminomethyl)cyclopentane-1-carboxylic acid
CID 83819168

Frequently Asked Questions

What is the IUPAC name of (1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of (1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid (CID 146210075) is (1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for (1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for (1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid is O=C(O)CC1CC[C@H](C(=O)O)C1.
What is the InChIKey of (1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid?
The InChIKey is XCWAHKNNDFNCCV-GDVGLLTNSA-N. The full InChI is InChI=1S/C8H12O4/c9-7(10)4-5-1-2-6(3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5?,6-/m0/s1.
What are the key properties of (1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid?
(1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid has a molecular weight of 172.18 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 146210075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).