(2S)-2-aminocyclopentane-1,1-dicarboxylic acid

C7H11NO4 — CID 67575555

IUPAC(2S)-2-aminocyclopentane-1,1-dicarboxylic acid
SMILESN[C@H]1CCCC1(C(=O)O)C(=O)O
InChIInChI=1S/C7H11NO4/c8-4-2-1-3-7(4,5(9)10)6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-/m0/s1
InChIKeyZCUDKGOFOWWEMD-BYPYZUCNSA-N
MW173.17 g/mol
LogP-0.35
Rot. Bonds2

About (2S)-2-aminocyclopentane-1,1-dicarboxylic acid

(2S)-2-aminocyclopentane-1,1-dicarboxylic acid (PubChem CID 67575555) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is (2S)-2-aminocyclopentane-1,1-dicarboxylic acid.

Molecular Properties

Compound Name(2S)-2-aminocyclopentane-1,1-dicarboxylic acid
PubChem CID67575555
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name(2S)-2-aminocyclopentane-1,1-dicarboxylic acid
SMILESN[C@H]1CCCC1(C(=O)O)C(=O)O
InChIInChI=1S/C7H11NO4/c8-4-2-1-3-7(4,5(9)10)6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-/m0/s1
InChIKeyZCUDKGOFOWWEMD-BYPYZUCNSA-N
XLogP-0.35
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminocyclopentane-1,1-dicarboxylic acid?
The IUPAC name of (2S)-2-aminocyclopentane-1,1-dicarboxylic acid (CID 67575555) is (2S)-2-aminocyclopentane-1,1-dicarboxylic acid.
What is the SMILES notation for (2S)-2-aminocyclopentane-1,1-dicarboxylic acid?
The canonical SMILES for (2S)-2-aminocyclopentane-1,1-dicarboxylic acid is N[C@H]1CCCC1(C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-aminocyclopentane-1,1-dicarboxylic acid?
The InChIKey is ZCUDKGOFOWWEMD-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H11NO4/c8-4-2-1-3-7(4,5(9)10)6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-/m0/s1.
What are the key properties of (2S)-2-aminocyclopentane-1,1-dicarboxylic acid?
(2S)-2-aminocyclopentane-1,1-dicarboxylic acid has a molecular weight of 173.17 g/mol, XLogP of -0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminocyclopentane-1,1-dicarboxylic acid is sourced from PubChem (CID 67575555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).