3-[(2S)-4-[5-[(1-ethylpiperidin-4-yl)methoxy]-3-pyridinyl]morpholin-2-yl]propanoic acid

C20H31N3O4 — CID 167613073

IUPAC3-[(2S)-4-[5-[(1-ethylpiperidin-4-yl)methoxy]-3-pyridinyl]morpholin-2-yl]propanoic acid
SMILESCCN1CCC(COc2cncc(N3CCO[C@@H](CCC(=O)O)C3)c2)CC1
InChIInChI=1S/C20H31N3O4/c1-2-22-7-5-16(6-8-22)15-27-19-11-17(12-21-13-19)23-9-10-26-18(14-23)3-4-20(24)25/h11-13,16,18H,2-10,14-15H2,1H3,(H,24,25)/t18-/m0/s1
InChIKeyISRQXBSWYYCJBU-SFHVURJKSA-N
MW377.49 g/mol
LogP2.26
Rot. Bonds8

About 3-[(2S)-4-[5-[(1-ethylpiperidin-4-yl)methoxy]-3-pyridinyl]morpholin-2-yl]propanoic acid

3-[(2S)-4-[5-[(1-ethylpiperidin-4-yl)methoxy]-3-pyridinyl]morpholin-2-yl]propanoic acid (PubChem CID 167613073) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[(2S)-4-[5-[(1-ethylpiperidin-4-yl)methoxy]-3-pyridinyl]morpholin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2S)-4-[5-[(1-ethylpiperidin-4-yl)methoxy]-3-pyridinyl]morpholin-2-yl]propanoic acid
PubChem CID167613073
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Name3-[(2S)-4-[5-[(1-ethylpiperidin-4-yl)methoxy]-3-pyridinyl]morpholin-2-yl]propanoic acid
SMILESCCN1CCC(COc2cncc(N3CCO[C@@H](CCC(=O)O)C3)c2)CC1
InChIInChI=1S/C20H31N3O4/c1-2-22-7-5-16(6-8-22)15-27-19-11-17(12-21-13-19)23-9-10-26-18(14-23)3-4-20(24)25/h11-13,16,18H,2-10,14-15H2,1H3,(H,24,25)/t18-/m0/s1
InChIKeyISRQXBSWYYCJBU-SFHVURJKSA-N
XLogP2.26
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(2S)-4-[5-[(1-ethylpiperidin-4-yl)methoxy]-3-pyridinyl]morpholin-2-yl]propanoic acid with MolForge

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Related Compounds

3-[(2S)-4-[5-[(4-chlorophenyl)methoxy]-3-pyridinyl]morpholin-2-yl]propanoic acid;sulfane
CID 167674957
3-methyl-6-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-2-carboxylic acid
CID 167688820
1-methyl-2-[(2S)-4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid
CID 167659976
ethyl 2-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylate
CID 167615166
2-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid
CID 175624835
3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid
CID 95426355
1-ethyl-4-(phenoxymethyl)piperidine
CID 91434819
3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83982038
4-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]morpholine-2-carboxylic acid
CID 175625254
2-[4-(6-ethoxypyrazin-2-yl)morpholin-2-yl]acetic acid
CID 66435962
1-[5-[2-(oxolan-2-yl)ethoxy]-3-pyridinyl]piperidin-3-amine
CID 65165890
ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid
CID 145006678

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-4-[5-[(1-ethylpiperidin-4-yl)methoxy]-3-pyridinyl]morpholin-2-yl]propanoic acid?
The IUPAC name of 3-[(2S)-4-[5-[(1-ethylpiperidin-4-yl)methoxy]-3-pyridinyl]morpholin-2-yl]propanoic acid (CID 167613073) is 3-[(2S)-4-[5-[(1-ethylpiperidin-4-yl)methoxy]-3-pyridinyl]morpholin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2S)-4-[5-[(1-ethylpiperidin-4-yl)methoxy]-3-pyridinyl]morpholin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2S)-4-[5-[(1-ethylpiperidin-4-yl)methoxy]-3-pyridinyl]morpholin-2-yl]propanoic acid is CCN1CCC(COc2cncc(N3CCO[C@@H](CCC(=O)O)C3)c2)CC1.
What is the InChIKey of 3-[(2S)-4-[5-[(1-ethylpiperidin-4-yl)methoxy]-3-pyridinyl]morpholin-2-yl]propanoic acid?
The InChIKey is ISRQXBSWYYCJBU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-2-22-7-5-16(6-8-22)15-27-19-11-17(12-21-13-19)23-9-10-26-18(14-23)3-4-20(24)25/h11-13,16,18H,2-10,14-15H2,1H3,(H,24,25)/t18-/m0/s1.
What are the key properties of 3-[(2S)-4-[5-[(1-ethylpiperidin-4-yl)methoxy]-3-pyridinyl]morpholin-2-yl]propanoic acid?
3-[(2S)-4-[5-[(1-ethylpiperidin-4-yl)methoxy]-3-pyridinyl]morpholin-2-yl]propanoic acid has a molecular weight of 377.49 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-4-[5-[(1-ethylpiperidin-4-yl)methoxy]-3-pyridinyl]morpholin-2-yl]propanoic acid is sourced from PubChem (CID 167613073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).