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

C14H22N2O4 — CID 102893299

IUPAC2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C2NCC3CCCC32)CCO1
InChIInChI=1S/C14H22N2O4/c17-12(18)6-10-8-16(4-5-20-10)14(19)13-11-3-1-2-9(11)7-15-13/h9-11,13,15H,1-8H2,(H,17,18)
InChIKeyOZYXTRYLSIWMPH-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-2-yl]acetic acid

2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 102893299) 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-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-2-yl]acetic acid
PubChem CID102893299
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-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C2NCC3CCCC32)CCO1
InChIInChI=1S/C14H22N2O4/c17-12(18)6-10-8-16(4-5-20-10)14(19)13-11-3-1-2-9(11)7-15-13/h9-11,13,15H,1-8H2,(H,17,18)
InChIKeyOZYXTRYLSIWMPH-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-cyclohexylcyclopropanecarbonyl)morpholin-2-yl]acetic acid
CID 119248477
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 102893620
2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-3-yl]acetic acid
CID 102893391
2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid
CID 120527755
2-[4-[(3R)-piperidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 81134829
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107220421
2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248813
2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid
CID 124515362
2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
2-[4-(1-methylpyrrolidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66420578
2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 119248008
2-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66434843

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-2-yl]acetic acid?
The IUPAC name of 2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-2-yl]acetic acid (CID 102893299) is 2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-2-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-2-yl]acetic acid?
The canonical SMILES for 2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)C2NCC3CCCC32)CCO1.
What is the InChIKey of 2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is OZYXTRYLSIWMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-12(18)6-10-8-16(4-5-20-10)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-2-yl]acetic acid?
2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-2-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-2-yl]acetic acid is sourced from PubChem (CID 102893299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).