2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid

C17H27NO4 — CID 120527755

IUPAC2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C2CCC3CCCCC3C2)CCO1
InChIInChI=1S/C17H27NO4/c19-16(20)10-15-11-18(7-8-22-15)17(21)14-6-5-12-3-1-2-4-13(12)9-14/h12-15H,1-11H2,(H,19,20)
InChIKeyHKVZMTRRBJRXJN-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.30
Rot. Bonds3

About 2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid

2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 120527755) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid
PubChem CID120527755
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Name2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C2CCC3CCCCC3C2)CCO1
InChIInChI=1S/C17H27NO4/c19-16(20)10-15-11-18(7-8-22-15)17(21)14-6-5-12-3-1-2-4-13(12)9-14/h12-15H,1-11H2,(H,19,20)
InChIKeyHKVZMTRRBJRXJN-UHFFFAOYSA-N
XLogP2.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid with MolForge

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Related Compounds

2-[4-(2-cyclohexylcyclopropanecarbonyl)morpholin-2-yl]acetic acid
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2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid
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2-[4-(1-methylpyrrolidine-3-carbonyl)morpholin-2-yl]acetic acid
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2-[4-[(3R)-piperidine-3-carbonyl]morpholin-2-yl]acetic acid
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2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)morpholin-2-yl]acetic acid
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2-[(2S)-4-[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 129465906
2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-2-yl]acetic acid
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cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707
(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone;hydrochloride
CID 120993071
2-[4-[3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carbonyl]morpholin-2-yl]acetic acid
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2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid (CID 120527755) is 2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)C2CCC3CCCCC3C2)CCO1.
What is the InChIKey of 2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is HKVZMTRRBJRXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4/c19-16(20)10-15-11-18(7-8-22-15)17(21)14-6-5-12-3-1-2-4-13(12)9-14/h12-15H,1-11H2,(H,19,20).
What are the key properties of 2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 309.41 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 120527755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).