2-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]acetic acid;hydrochloride

C13H17Cl2NO3 — CID 71930920

IUPAC2-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]acetic acid;hydrochloride
SMILESCC1COC(c2ccccc2Cl)CN1CC(=O)O.Cl
InChIInChI=1S/C13H16ClNO3.ClH/c1-9-8-18-12(6-15(9)7-13(16)17)10-4-2-3-5-11(10)14;/h2-5,9,12H,6-8H2,1H3,(H,16,17);1H
InChIKeyNMKFQEBAMIKXOR-UHFFFAOYSA-N
MW306.19 g/mol
LogP2.61
Rot. Bonds3

About 2-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]acetic acid;hydrochloride

2-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]acetic acid;hydrochloride (PubChem CID 71930920) has the molecular formula C13H17Cl2NO3 and a molecular weight of 306.19 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]acetic acid;hydrochloride
PubChem CID71930920
Molecular FormulaC13H17Cl2NO3
Molecular Weight306.19 g/mol
Exact Mass305.06
IUPAC Name2-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]acetic acid;hydrochloride
SMILESCC1COC(c2ccccc2Cl)CN1CC(=O)O.Cl
InChIInChI=1S/C13H16ClNO3.ClH/c1-9-8-18-12(6-15(9)7-13(16)17)10-4-2-3-5-11(10)14;/h2-5,9,12H,6-8H2,1H3,(H,16,17);1H
InChIKeyNMKFQEBAMIKXOR-UHFFFAOYSA-N
XLogP2.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid
CID 97094799
3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid
CID 97094798
2-[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]acetic acid
CID 125130227
2-(5-methyl-2-phenylmorpholin-4-yl)acetic acid
CID 119135239
N-carbamoyl-3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanamide
CID 95621900
4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-methylbutan-2-ol
CID 97319822
(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide
CID 146049310
1-[(2S,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 124686478
1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-(methylamino)butan-1-one
CID 119784334
(2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one
CID 154740422
4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one
CID 119324084
(2S,5R)-2-(2-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)methyl]morpholine
CID 99792277

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]acetic acid;hydrochloride (CID 71930920) is 2-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]acetic acid;hydrochloride is CC1COC(c2ccccc2Cl)CN1CC(=O)O.Cl.
What is the InChIKey of 2-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]acetic acid;hydrochloride?
The InChIKey is NMKFQEBAMIKXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3.ClH/c1-9-8-18-12(6-15(9)7-13(16)17)10-4-2-3-5-11(10)14;/h2-5,9,12H,6-8H2,1H3,(H,16,17);1H.
What are the key properties of 2-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]acetic acid;hydrochloride?
2-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]acetic acid;hydrochloride has a molecular weight of 306.19 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]acetic acid;hydrochloride is sourced from PubChem (CID 71930920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).