2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)acetic acid

C10H16N2O3 — CID 102892056

IUPAC2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)C1NCC2CCCC21
InChIInChI=1S/C10H16N2O3/c13-8(14)5-12-10(15)9-7-3-1-2-6(7)4-11-9/h6-7,9,11H,1-5H2,(H,12,15)(H,13,14)
InChIKeyDATHPDAYUBUFIG-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.42
Rot. Bonds3

About 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)acetic acid

2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)acetic acid (PubChem CID 102892056) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)acetic acid
PubChem CID102892056
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)C1NCC2CCCC21
InChIInChI=1S/C10H16N2O3/c13-8(14)5-12-10(15)9-7-3-1-2-6(7)4-11-9/h6-7,9,11H,1-5H2,(H,12,15)(H,13,14)
InChIKeyDATHPDAYUBUFIG-UHFFFAOYSA-N
XLogP-0.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

rac-(1R,3aS,6aR)-octahydrocyclopenta(c)pyrrole-1-carboxamide
CID 97358980
(3S)-2-[(2S)-2-amino-4-fluoro-4-methylpentanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 163554512
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891945
2-[1,2,3,3a,4,5,6,6a-Octahydrocyclopenta[c]pyrrole-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 102893318
2-(1,2,3,3a,4,5,6,6a-Octahydrocyclopenta[c]pyrrole-3-carbonylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 102893346
2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895435
2-[2-(2,2,2-trifluoroethylamino)acetyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895572
N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 105646080
N-(3,3-difluoro-2-hydroxypropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 105646365
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 107479429
N-(2-fluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 130504038
(3S,3aS,6aR)-2-[(2R)-3-fluoro-3-methyl-2-(methylamino)butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 166537666

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)acetic acid?
The IUPAC name of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)acetic acid (CID 102892056) is 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)acetic acid.
What is the SMILES notation for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)acetic acid?
The canonical SMILES for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)acetic acid is O=C(O)CNC(=O)C1NCC2CCCC21.
What is the InChIKey of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)acetic acid?
The InChIKey is DATHPDAYUBUFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-8(14)5-12-10(15)9-7-3-1-2-6(7)4-11-9/h6-7,9,11H,1-5H2,(H,12,15)(H,13,14).
What are the key properties of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)acetic acid?
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)acetic acid has a molecular weight of 212.25 g/mol, XLogP of -0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)acetic acid is sourced from PubChem (CID 102892056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).