cis-(1S,3S)-1-(dimethylamino)cyclopentane-1,3-dicarboxylic acid

C9H15NO4 — CID 71579136

IUPACcis-(1S,3S)-1-(dimethylamino)cyclopentane-1,3-dicarboxylic acid
SMILESCN(C)[C@@]1(C(=O)O)CC[C@H](C(=O)O)C1
InChIInChI=1S/C9H15NO4/c1-10(2)9(8(13)14)4-3-6(5-9)7(11)12/h6H,3-5H2,1-2H3,(H,11,12)(H,13,14)/t6-,9-/m0/s1
InChIKeyJZPQASUGEVXUSY-RCOVLWMOSA-N
MW201.22 g/mol
LogP0.26
Rot. Bonds3

About cis-(1S,3S)-1-(dimethylamino)cyclopentane-1,3-dicarboxylic acid

cis-(1S,3S)-1-(dimethylamino)cyclopentane-1,3-dicarboxylic acid (PubChem CID 71579136) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is cis-(1S,3S)-1-(dimethylamino)cyclopentane-1,3-dicarboxylic acid.

Molecular Properties

Compound Namecis-(1S,3S)-1-(dimethylamino)cyclopentane-1,3-dicarboxylic acid
PubChem CID71579136
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Namecis-(1S,3S)-1-(dimethylamino)cyclopentane-1,3-dicarboxylic acid
SMILESCN(C)[C@@]1(C(=O)O)CC[C@H](C(=O)O)C1
InChIInChI=1S/C9H15NO4/c1-10(2)9(8(13)14)4-3-6(5-9)7(11)12/h6H,3-5H2,1-2H3,(H,11,12)(H,13,14)/t6-,9-/m0/s1
InChIKeyJZPQASUGEVXUSY-RCOVLWMOSA-N
XLogP0.26
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dihydroxycyclopentane-1-carboxylic acid
CID 67929383
1-(dimethylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 103564719
3-acetyl-3-methylcyclopentane-1-carboxylic acid
CID 89159175
1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid
CID 18522538
4-amino-4-hydroxycyclohexane-1-carboxylic acid
CID 123288864
spiro[4.5]decane-3-carboxylic acid
CID 13443385
1-azaspiro[2.4]heptane-5-carboxylic acid
CID 87945137
trans-(1S,3R)-3-methoxycarbonyl-3-methylcyclopentane-1-carboxylic acid
CID 121455557
(8R)-1,4-dithiaspiro[4.4]nonane-8-carboxylic acid
CID 99996158
1-chlorocyclohexane-1,4-dicarboxylic acid
CID 21417345
cis-(1R,3R)-3-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylic acid
CID 99996064
(8R)-1-methyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylic acid
CID 67113783

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-1-(dimethylamino)cyclopentane-1,3-dicarboxylic acid?
The IUPAC name of cis-(1S,3S)-1-(dimethylamino)cyclopentane-1,3-dicarboxylic acid (CID 71579136) is cis-(1S,3S)-1-(dimethylamino)cyclopentane-1,3-dicarboxylic acid.
What is the SMILES notation for cis-(1S,3S)-1-(dimethylamino)cyclopentane-1,3-dicarboxylic acid?
The canonical SMILES for cis-(1S,3S)-1-(dimethylamino)cyclopentane-1,3-dicarboxylic acid is CN(C)[C@@]1(C(=O)O)CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3S)-1-(dimethylamino)cyclopentane-1,3-dicarboxylic acid?
The InChIKey is JZPQASUGEVXUSY-RCOVLWMOSA-N. The full InChI is InChI=1S/C9H15NO4/c1-10(2)9(8(13)14)4-3-6(5-9)7(11)12/h6H,3-5H2,1-2H3,(H,11,12)(H,13,14)/t6-,9-/m0/s1.
What are the key properties of cis-(1S,3S)-1-(dimethylamino)cyclopentane-1,3-dicarboxylic acid?
cis-(1S,3S)-1-(dimethylamino)cyclopentane-1,3-dicarboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-1-(dimethylamino)cyclopentane-1,3-dicarboxylic acid is sourced from PubChem (CID 71579136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).