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

C14H22N2O4 — CID 102893391

IUPAC2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-3-yl]acetic acid
SMILESO=C(O)CC1COCCN1C(=O)C1NCC2CCCC21
InChIInChI=1S/C14H22N2O4/c17-12(18)6-10-8-20-5-4-16(10)14(19)13-11-3-1-2-9(11)7-15-13/h9-11,13,15H,1-8H2,(H,17,18)
InChIKeyGDHHWSRDWWMNJG-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.08
Rot. Bonds3

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

2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-3-yl]acetic acid (PubChem CID 102893391) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-3-yl]acetic acid
PubChem CID102893391
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-3-yl]acetic acid
SMILESO=C(O)CC1COCCN1C(=O)C1NCC2CCCC21
InChIInChI=1S/C14H22N2O4/c17-12(18)6-10-8-20-5-4-16(10)14(19)13-11-3-1-2-9(11)7-15-13/h9-11,13,15H,1-8H2,(H,17,18)
InChIKeyGDHHWSRDWWMNJG-UHFFFAOYSA-N
XLogP0.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-2-yl]acetic acid
CID 102893299
2-[4-[(2R)-oxolane-2-carbonyl]morpholin-3-yl]acetic acid
CID 104855859
(2S)-1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 102892250
2-[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)morpholin-3-yl]acetic acid
CID 82753207
2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid
CID 129414261
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102893952
(3R,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylic acid
CID 13232017
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
2-[4-[cyclobutylmethyl(ethyl)carbamoyl]morpholin-3-yl]acetic acid
CID 107400285
2-[4-[3-(oxazinan-2-yl)propanoyl]morpholin-3-yl]acetic acid
CID 46993756
(2S)-1-[(1S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole-1-carbonyl]pyrrolidine-2-carbonitrile
CID 70338028

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-3-yl]acetic acid (CID 102893391) is 2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-3-yl]acetic acid is O=C(O)CC1COCCN1C(=O)C1NCC2CCCC21.
What is the InChIKey of 2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-3-yl]acetic acid?
The InChIKey is GDHHWSRDWWMNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-12(18)6-10-8-20-5-4-16(10)14(19)13-11-3-1-2-9(11)7-15-13/h9-11,13,15H,1-8H2,(H,17,18).
What are the key properties of 2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-3-yl]acetic acid?
2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-3-yl]acetic acid has a molecular weight of 282.34 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 102893391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).