(3R)-3-aminocyclopentane-1,1-dicarboxylic acid

C7H11NO4 — CID 54063246

IUPAC(3R)-3-aminocyclopentane-1,1-dicarboxylic acid
SMILESN[C@@H]1CCC(C(=O)O)(C(=O)O)C1
InChIInChI=1S/C7H11NO4/c8-4-1-2-7(3-4,5(9)10)6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-/m1/s1
InChIKeyMBFKHGJAVUEKQR-SCSAIBSYSA-N
MW173.17 g/mol
LogP-0.35
Rot. Bonds2

About (3R)-3-aminocyclopentane-1,1-dicarboxylic acid

(3R)-3-aminocyclopentane-1,1-dicarboxylic acid (PubChem CID 54063246) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is (3R)-3-aminocyclopentane-1,1-dicarboxylic acid.

Molecular Properties

Compound Name(3R)-3-aminocyclopentane-1,1-dicarboxylic acid
PubChem CID54063246
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name(3R)-3-aminocyclopentane-1,1-dicarboxylic acid
SMILESN[C@@H]1CCC(C(=O)O)(C(=O)O)C1
InChIInChI=1S/C7H11NO4/c8-4-1-2-7(3-4,5(9)10)6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-/m1/s1
InChIKeyMBFKHGJAVUEKQR-SCSAIBSYSA-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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Related Compounds

3-aminocyclohexane-1,1-dicarboxylic acid
CID 139939403
trans-(1R,3S)-3-amino-1-methylcyclopentane-1-carboxylic acid
CID 66932920
3-amino-1-methylcyclopentane-1-carboxylic acid
CID 67230266
cis-(3S,4R)-3,4-dihydroxycyclohexane-1,1-dicarboxylic acid
CID 102177951
4-(4,4-dicarboxycyclohexyl)cyclohexane-1,1-dicarboxylic acid
CID 69129361
cis-(1R,3R)-3-amino-1-(trifluoromethyl)cyclopentane-1-carboxylic acid
CID 124633428
4-amino-1-fluorocyclohexane-1-carboxylic acid
CID 71757909
4-amino-1-hydroxycyclohexane-1-carboxylic acid;hydrochloride
CID 66728658
6-aminospiro[2.5]octane-2-carboxylic acid
CID 84653499
carbonic acid;cyclopropanamine
CID 70000861
1-(4-aminopiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 62097142
trans-(1R,3S)-3-amino-1-(4-boronobutyl)cyclopentane-1-carboxylic acid
CID 158364506

Frequently Asked Questions

What is the IUPAC name of (3R)-3-aminocyclopentane-1,1-dicarboxylic acid?
The IUPAC name of (3R)-3-aminocyclopentane-1,1-dicarboxylic acid (CID 54063246) is (3R)-3-aminocyclopentane-1,1-dicarboxylic acid.
What is the SMILES notation for (3R)-3-aminocyclopentane-1,1-dicarboxylic acid?
The canonical SMILES for (3R)-3-aminocyclopentane-1,1-dicarboxylic acid is N[C@@H]1CCC(C(=O)O)(C(=O)O)C1.
What is the InChIKey of (3R)-3-aminocyclopentane-1,1-dicarboxylic acid?
The InChIKey is MBFKHGJAVUEKQR-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H11NO4/c8-4-1-2-7(3-4,5(9)10)6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-/m1/s1.
What are the key properties of (3R)-3-aminocyclopentane-1,1-dicarboxylic acid?
(3R)-3-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 (3R)-3-aminocyclopentane-1,1-dicarboxylic acid is sourced from PubChem (CID 54063246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).