1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

C14H22N2O3 — CID 102893046

IUPAC1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C2NCC3CCCC32)C1
InChIInChI=1S/C14H22N2O3/c1-14(13(18)19)5-6-16(8-14)12(17)11-10-4-2-3-9(10)7-15-11/h9-11,15H,2-8H2,1H3,(H,18,19)
InChIKeyLOUZPANFFUTDTN-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.70
Rot. Bonds2

About 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 102893046) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID102893046
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C2NCC3CCCC32)C1
InChIInChI=1S/C14H22N2O3/c1-14(13(18)19)5-6-16(8-14)12(17)11-10-4-2-3-9(10)7-15-11/h9-11,15H,2-8H2,1H3,(H,18,19)
InChIKeyLOUZPANFFUTDTN-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobutanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63143159
1-(cyclohexanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166325
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(4-cyclopropylpiperazin-1-yl)methanone
CID 102891939
N-[1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperidin-4-yl]acetamide
CID 102893655
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107220421
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 102893620
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313762
(2S)-1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 102892250
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
1-(1-ethylsulfonylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256328
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 102892277
1-(4-ethylpiperidine-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114428989

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (CID 102893046) is 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)C2NCC3CCCC32)C1.
What is the InChIKey of 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is LOUZPANFFUTDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(13(18)19)5-6-16(8-14)12(17)11-10-4-2-3-9(10)7-15-11/h9-11,15H,2-8H2,1H3,(H,18,19).
What are the key properties of 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 102893046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).