(2R)-2-[(3aS,6aS)-3a-(methoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]butanoic acid

C13H23NO3 — CID 129495854

IUPAC(2R)-2-[(3aS,6aS)-3a-(methoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]butanoic acid
SMILESCC[C@H](C(=O)O)N1C[C@H]2CCC[C@@]2(COC)C1
InChIInChI=1S/C13H23NO3/c1-3-11(12(15)16)14-7-10-5-4-6-13(10,8-14)9-17-2/h10-11H,3-9H2,1-2H3,(H,15,16)/t10-,11-,13+/m1/s1
InChIKeyCFPRPUWNSGENNS-WZRBSPASSA-N
MW241.33 g/mol
LogP1.60
Rot. Bonds5

About (2R)-2-[(3aS,6aS)-3a-(methoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]butanoic acid

(2R)-2-[(3aS,6aS)-3a-(methoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]butanoic acid (PubChem CID 129495854) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2R)-2-[(3aS,6aS)-3a-(methoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3aS,6aS)-3a-(methoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]butanoic acid
PubChem CID129495854
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name(2R)-2-[(3aS,6aS)-3a-(methoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]butanoic acid
SMILESCC[C@H](C(=O)O)N1C[C@H]2CCC[C@@]2(COC)C1
InChIInChI=1S/C13H23NO3/c1-3-11(12(15)16)14-7-10-5-4-6-13(10,8-14)9-17-2/h10-11H,3-9H2,1-2H3,(H,15,16)/t10-,11-,13+/m1/s1
InChIKeyCFPRPUWNSGENNS-WZRBSPASSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(3aS,6aS)-3a-(methoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]butanoic acid with MolForge

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Related Compounds

[(3aS,6aS)-3a-(methoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 97421375
1-[(3aR,6aS)-3a-(methoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-chloropropan-1-one
CID 129497662
[3a-(methoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(azetidin-3-yl)methanone
CID 121204364
7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-amine
CID 121204312
(2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid
CID 129414278
1-[(3aR,7aR)-7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl]-3-chloropropan-1-one
CID 129499323
2-[3a-(methoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-N'-hydroxyethanimidamide
CID 121204365
2-(3-methylpiperidin-1-yl)butanoic acid
CID 43235109
(2S)-2-[(3R,4S)-3,4-diethoxypyrrolidin-1-yl]butanoic acid
CID 129499649
(2R)-2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]butanoic acid
CID 129359488
2-(azocan-1-yl)butanoic acid
CID 43808973
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)pentanoic acid
CID 83049899

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3aS,6aS)-3a-(methoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]butanoic acid?
The IUPAC name of (2R)-2-[(3aS,6aS)-3a-(methoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]butanoic acid (CID 129495854) is (2R)-2-[(3aS,6aS)-3a-(methoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]butanoic acid.
What is the SMILES notation for (2R)-2-[(3aS,6aS)-3a-(methoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]butanoic acid?
The canonical SMILES for (2R)-2-[(3aS,6aS)-3a-(methoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]butanoic acid is CC[C@H](C(=O)O)N1C[C@H]2CCC[C@@]2(COC)C1.
What is the InChIKey of (2R)-2-[(3aS,6aS)-3a-(methoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]butanoic acid?
The InChIKey is CFPRPUWNSGENNS-WZRBSPASSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-11(12(15)16)14-7-10-5-4-6-13(10,8-14)9-17-2/h10-11H,3-9H2,1-2H3,(H,15,16)/t10-,11-,13+/m1/s1.
What are the key properties of (2R)-2-[(3aS,6aS)-3a-(methoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]butanoic acid?
(2R)-2-[(3aS,6aS)-3a-(methoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]butanoic acid has a molecular weight of 241.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3aS,6aS)-3a-(methoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]butanoic acid is sourced from PubChem (CID 129495854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).