(3aS,6aR)-3a-(aminomethyl)-5-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid

C10H18N2O2 — CID 68723846

IUPAC(3aS,6aR)-3a-(aminomethyl)-5-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid
SMILESCC1C[C@H]2CN(C(=O)O)C[C@@]2(CN)C1
InChIInChI=1S/C10H18N2O2/c1-7-2-8-4-12(9(13)14)6-10(8,3-7)5-11/h7-8H,2-6,11H2,1H3,(H,13,14)/t7?,8-,10-/m0/s1
InChIKeyYSSDJLHXRQWWNM-CFGJQEBVSA-N
MW198.27 g/mol
LogP0.97
Rot. Bonds1

About (3aS,6aR)-3a-(aminomethyl)-5-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid

(3aS,6aR)-3a-(aminomethyl)-5-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid (PubChem CID 68723846) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (3aS,6aR)-3a-(aminomethyl)-5-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name(3aS,6aR)-3a-(aminomethyl)-5-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid
PubChem CID68723846
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(3aS,6aR)-3a-(aminomethyl)-5-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid
SMILESCC1C[C@H]2CN(C(=O)O)C[C@@]2(CN)C1
InChIInChI=1S/C10H18N2O2/c1-7-2-8-4-12(9(13)14)6-10(8,3-7)5-11/h7-8H,2-6,11H2,1H3,(H,13,14)/t7?,8-,10-/m0/s1
InChIKeyYSSDJLHXRQWWNM-CFGJQEBVSA-N
XLogP0.97
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3aS,6aR)-3a-(aminomethyl)-5-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid with MolForge

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Related Compounds

(3aR,6aS)-5-(aminomethyl)-5-fluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid
CID 67605956
[(3aS,6S,6aR)-3-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-6-yl]carbamic acid
CID 66590984
tert-butyl (3aS,6aR)-3a-(aminomethyl)-5-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 66703882
Cis-Tert-Butyl 3A-(Aminomethyl)Hexahydrocyclopenta[C]Pyrrole-2(1H)-Carboxylate
CID 66703911
5-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 66820176
tert-butyl (3aS)-3a-(aminomethyl)-5-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 67411965
5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 67515398
(3aR,6aS)-5-(2-aminoethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 67606562
(3aR,6aS)-5-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 67606658
(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid
CID 68723974
(3S,3aS,6aR)-3-(aminomethyl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 68725384
3a-Methyl-5-(methylamino)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid
CID 117664419

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-3a-(aminomethyl)-5-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid?
The IUPAC name of (3aS,6aR)-3a-(aminomethyl)-5-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid (CID 68723846) is (3aS,6aR)-3a-(aminomethyl)-5-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid.
What is the SMILES notation for (3aS,6aR)-3a-(aminomethyl)-5-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid?
The canonical SMILES for (3aS,6aR)-3a-(aminomethyl)-5-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid is CC1C[C@H]2CN(C(=O)O)C[C@@]2(CN)C1.
What is the InChIKey of (3aS,6aR)-3a-(aminomethyl)-5-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid?
The InChIKey is YSSDJLHXRQWWNM-CFGJQEBVSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7-2-8-4-12(9(13)14)6-10(8,3-7)5-11/h7-8H,2-6,11H2,1H3,(H,13,14)/t7?,8-,10-/m0/s1.
What are the key properties of (3aS,6aR)-3a-(aminomethyl)-5-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid?
(3aS,6aR)-3a-(aminomethyl)-5-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid has a molecular weight of 198.27 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-3a-(aminomethyl)-5-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid is sourced from PubChem (CID 68723846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).