3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-methylpropanoic acid

C11H20N2O2 — CID 115561579

IUPAC3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-methylpropanoic acid
SMILESCC(N)(CN1CC2CCCC2C1)C(=O)O
InChIInChI=1S/C11H20N2O2/c1-11(12,10(14)15)7-13-5-8-3-2-4-9(8)6-13/h8-9H,2-7,12H2,1H3,(H,14,15)
InChIKeyLPLWBSHYICVMBP-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.52
Rot. Bonds3

About 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-methylpropanoic acid

3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-methylpropanoic acid (PubChem CID 115561579) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-methylpropanoic acid
PubChem CID115561579
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-methylpropanoic acid
SMILESCC(N)(CN1CC2CCCC2C1)C(=O)O
InChIInChI=1S/C11H20N2O2/c1-11(12,10(14)15)7-13-5-8-3-2-4-9(8)6-13/h8-9H,2-7,12H2,1H3,(H,14,15)
InChIKeyLPLWBSHYICVMBP-UHFFFAOYSA-N
XLogP0.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-2-methylpropanoic acid
CID 65324915
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpropanamide
CID 115561578
2-amino-3-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropanamide
CID 79184576
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpropanoate
CID 115561491
2-amino-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid
CID 62968090
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-phenylpropanoate
CID 115561548
ethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpropanoate
CID 115561599
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide
CID 115561563
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 113335634
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(ethylamino)propanamide
CID 113336080
2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propanoic acid
CID 62776938
3-(1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl)-2,2-dimethylpropanoic acid
CID 175558595

Frequently Asked Questions

What is the IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-methylpropanoic acid?
The IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-methylpropanoic acid (CID 115561579) is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-methylpropanoic acid.
What is the SMILES notation for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-methylpropanoic acid?
The canonical SMILES for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-methylpropanoic acid is CC(N)(CN1CC2CCCC2C1)C(=O)O.
What is the InChIKey of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-methylpropanoic acid?
The InChIKey is LPLWBSHYICVMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(12,10(14)15)7-13-5-8-3-2-4-9(8)6-13/h8-9H,2-7,12H2,1H3,(H,14,15).
What are the key properties of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-methylpropanoic acid?
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-methylpropanoic acid has a molecular weight of 212.29 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-methylpropanoic acid is sourced from PubChem (CID 115561579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).