2-[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)morpholin-3-yl]acetic acid

C15H24N2O4 — CID 82753207

IUPAC2-[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)morpholin-3-yl]acetic acid
SMILESO=C(O)CC1COCCN1C(=O)N1CCC2CCCCC21
InChIInChI=1S/C15H24N2O4/c18-14(19)9-12-10-21-8-7-16(12)15(20)17-6-5-11-3-1-2-4-13(11)17/h11-13H,1-10H2,(H,18,19)
InChIKeyWWAIVXXHQYQGSN-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.55
Rot. Bonds2

About 2-[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)morpholin-3-yl]acetic acid

2-[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)morpholin-3-yl]acetic acid (PubChem CID 82753207) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)morpholin-3-yl]acetic acid
PubChem CID82753207
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)morpholin-3-yl]acetic acid
SMILESO=C(O)CC1COCCN1C(=O)N1CCC2CCCCC21
InChIInChI=1S/C15H24N2O4/c18-14(19)9-12-10-21-8-7-16(12)15(20)17-6-5-11-3-1-2-4-13(11)17/h11-13H,1-10H2,(H,18,19)
InChIKeyWWAIVXXHQYQGSN-UHFFFAOYSA-N
XLogP1.55
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)morpholin-3-yl]acetic acid with MolForge

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Related Compounds

2-[4-[(2R)-oxolane-2-carbonyl]morpholin-3-yl]acetic acid
CID 104855859
2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-3-yl]acetic acid
CID 102893391
2-[4-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)morpholin-3-yl]acetic acid
CID 114172612
2-[4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-yl]acetic acid
CID 106588033
2-[4-(3-hydroxy-4-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid
CID 102961872
2-[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66444382
2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
2-[4-[1-(aminomethyl)cyclobutanecarbonyl]morpholin-3-yl]acetic acid
CID 113311756
2-[(3S)-4-[3-(oxan-4-yl)propanoyl]morpholin-3-yl]acetic acid
CID 129470037
1-[(5aR,8aS)-2,3,5,5a,6,7,8,8a-octahydrocyclopenta[e][1,4]oxazepin-1-yl]-2-aminoethanone
CID 129499918
2-[1-(morpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370369
2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)morpholin-3-yl]acetic acid
CID 56905000

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)morpholin-3-yl]acetic acid (CID 82753207) is 2-[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)morpholin-3-yl]acetic acid is O=C(O)CC1COCCN1C(=O)N1CCC2CCCCC21.
What is the InChIKey of 2-[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)morpholin-3-yl]acetic acid?
The InChIKey is WWAIVXXHQYQGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c18-14(19)9-12-10-21-8-7-16(12)15(20)17-6-5-11-3-1-2-4-13(11)17/h11-13H,1-10H2,(H,18,19).
What are the key properties of 2-[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)morpholin-3-yl]acetic acid?
2-[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)morpholin-3-yl]acetic acid has a molecular weight of 296.37 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 82753207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).