3-[2-(4-pyrimidin-2-yloxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride

C17H20ClN3O4 — CID 56597202

IUPAC3-[2-(4-pyrimidin-2-yloxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride
SMILESCl.O=C(O)CCN1CCOC(c2ccc(Oc3ncccn3)cc2)C1
InChIInChI=1S/C17H19N3O4.ClH/c21-16(22)6-9-20-10-11-23-15(12-20)13-2-4-14(5-3-13)24-17-18-7-1-8-19-17;/h1-5,7-8,15H,6,9-12H2,(H,21,22);1H
InChIKeyVHPMZLTUGYVAPF-UHFFFAOYSA-N
MW365.82 g/mol
LogP2.54
Rot. Bonds6

About 3-[2-(4-pyrimidin-2-yloxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride

3-[2-(4-pyrimidin-2-yloxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride (PubChem CID 56597202) has the molecular formula C17H20ClN3O4 and a molecular weight of 365.82 g/mol. Its IUPAC name is 3-[2-(4-pyrimidin-2-yloxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[2-(4-pyrimidin-2-yloxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride
PubChem CID56597202
Molecular FormulaC17H20ClN3O4
Molecular Weight365.82 g/mol
Exact Mass365.11
IUPAC Name3-[2-(4-pyrimidin-2-yloxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride
SMILESCl.O=C(O)CCN1CCOC(c2ccc(Oc3ncccn3)cc2)C1
InChIInChI=1S/C17H19N3O4.ClH/c21-16(22)6-9-20-10-11-23-15(12-20)13-2-4-14(5-3-13)24-17-18-7-1-8-19-17;/h1-5,7-8,15H,6,9-12H2,(H,21,22);1H
InChIKeyVHPMZLTUGYVAPF-UHFFFAOYSA-N
XLogP2.54
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride
CID 66654044
3-[2-[4-(2-methoxyphenoxy)phenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 66653995
3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
3-[2-(4-naphthalen-1-yloxyphenyl)morpholin-4-yl]propanoic acid
CID 56597204
3-[2-(4-hex-5-ynoxyphenyl)morpholin-4-yl]propanoic acid
CID 51002386
3-[(2S)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid
CID 124564158
3-[(2R)-2-[4-(5-oxohexoxy)phenyl]morpholin-4-yl]propanoic acid
CID 124564116
3-[(2R)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid
CID 124564157
tert-butyl 3-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]morpholin-4-yl]propanoate;tert-butyl 3-[2-(4-pyrimidin-2-yloxyphenyl)morpholin-4-yl]propanoate
CID 158002352
3-[2-[4-(benzenesulfonyl)phenyl]morpholin-4-yl]propanoic acid
CID 56599119
3-[2-[4-[(2-chloro-3-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 67032676
3-[2-[4-[(2,6-dichlorophenoxy)methyl]phenyl]morpholin-4-yl]propanoic acid
CID 51001962

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-pyrimidin-2-yloxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride?
The IUPAC name of 3-[2-(4-pyrimidin-2-yloxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride (CID 56597202) is 3-[2-(4-pyrimidin-2-yloxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[2-(4-pyrimidin-2-yloxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride?
The canonical SMILES for 3-[2-(4-pyrimidin-2-yloxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride is Cl.O=C(O)CCN1CCOC(c2ccc(Oc3ncccn3)cc2)C1.
What is the InChIKey of 3-[2-(4-pyrimidin-2-yloxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride?
The InChIKey is VHPMZLTUGYVAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4.ClH/c21-16(22)6-9-20-10-11-23-15(12-20)13-2-4-14(5-3-13)24-17-18-7-1-8-19-17;/h1-5,7-8,15H,6,9-12H2,(H,21,22);1H.
What are the key properties of 3-[2-(4-pyrimidin-2-yloxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride?
3-[2-(4-pyrimidin-2-yloxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride has a molecular weight of 365.82 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-pyrimidin-2-yloxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride is sourced from PubChem (CID 56597202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).