(3aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid

C8H14N2O2 — CID 134587542

IUPAC(3aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
SMILESNC1CC2CN(C(=O)O)C[C@@H]2C1
InChIInChI=1S/C8H14N2O2/c9-7-1-5-3-10(8(11)12)4-6(5)2-7/h5-7H,1-4,9H2,(H,11,12)/t5-,6?,7?/m0/s1
InChIKeyMOTPREKPLTUWGV-VTSJMVTISA-N
MW170.21 g/mol
LogP0.33
Rot. Bonds

About (3aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid

(3aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid (PubChem CID 134587542) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (3aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name(3aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
PubChem CID134587542
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(3aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
SMILESNC1CC2CN(C(=O)O)C[C@@H]2C1
InChIInChI=1S/C8H14N2O2/c9-7-1-5-3-10(8(11)12)4-6(5)2-7/h5-7H,1-4,9H2,(H,11,12)/t5-,6?,7?/m0/s1
InChIKeyMOTPREKPLTUWGV-VTSJMVTISA-N
XLogP0.33
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid with MolForge

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Related Compounds

(1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 170429882
3-aminoazetidine-1-carboxylic acid;hydrochloride
CID 126721297
(3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid
CID 134211031
3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-2-carboxylic acid
CID 140973095
3-azabicyclo[5.1.0]octane-3-carboxylic acid
CID 150365734
(3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylic acid
CID 69429414
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
4-(3-aminocyclohexyl)piperidine-1-carboxylic acid
CID 175254803
3-carbamoylazetidine-1-carboxylic acid
CID 22731075
tert-butyl 3-(3-aminocyclobutyl)azetidine-1-carboxylate
CID 155890892
2-hydroxy-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid
CID 135347050
2-(aminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid
CID 135346479

Frequently Asked Questions

What is the IUPAC name of (3aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid?
The IUPAC name of (3aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid (CID 134587542) is (3aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid.
What is the SMILES notation for (3aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid?
The canonical SMILES for (3aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid is NC1CC2CN(C(=O)O)C[C@@H]2C1.
What is the InChIKey of (3aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid?
The InChIKey is MOTPREKPLTUWGV-VTSJMVTISA-N. The full InChI is InChI=1S/C8H14N2O2/c9-7-1-5-3-10(8(11)12)4-6(5)2-7/h5-7H,1-4,9H2,(H,11,12)/t5-,6?,7?/m0/s1.
What are the key properties of (3aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid?
(3aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of 0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid is sourced from PubChem (CID 134587542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).