2-[(6R)-2-carbamoyl-6-methylmorpholin-4-yl]acetic acid;hydrochloride

C8H15ClN2O4 — CID 130735459

IUPAC2-[(6R)-2-carbamoyl-6-methylmorpholin-4-yl]acetic acid;hydrochloride
SMILESC[C@@H]1CN(CC(=O)O)CC(C(N)=O)O1.Cl
InChIInChI=1S/C8H14N2O4.ClH/c1-5-2-10(4-7(11)12)3-6(14-5)8(9)13;/h5-6H,2-4H2,1H3,(H2,9,13)(H,11,12);1H/t5-,6?;/m1./s1
InChIKeyAKFOFIOBYREPEO-VQALBSKCSA-N
MW238.67 g/mol
LogP-0.93
Rot. Bonds3

About 2-[(6R)-2-carbamoyl-6-methylmorpholin-4-yl]acetic acid;hydrochloride

2-[(6R)-2-carbamoyl-6-methylmorpholin-4-yl]acetic acid;hydrochloride (PubChem CID 130735459) has the molecular formula C8H15ClN2O4 and a molecular weight of 238.67 g/mol. Its IUPAC name is 2-[(6R)-2-carbamoyl-6-methylmorpholin-4-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(6R)-2-carbamoyl-6-methylmorpholin-4-yl]acetic acid;hydrochloride
PubChem CID130735459
Molecular FormulaC8H15ClN2O4
Molecular Weight238.67 g/mol
Exact Mass238.07
IUPAC Name2-[(6R)-2-carbamoyl-6-methylmorpholin-4-yl]acetic acid;hydrochloride
SMILESC[C@@H]1CN(CC(=O)O)CC(C(N)=O)O1.Cl
InChIInChI=1S/C8H14N2O4.ClH/c1-5-2-10(4-7(11)12)3-6(14-5)8(9)13;/h5-6H,2-4H2,1H3,(H2,9,13)(H,11,12);1H/t5-,6?;/m1./s1
InChIKeyAKFOFIOBYREPEO-VQALBSKCSA-N
XLogP-0.93
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid
CID 100637021
(2R,6R)-4-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-6-methylmorpholine-2-carboxamide
CID 129429790
(2R,6R)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-6-methylmorpholine-2-carboxamide
CID 129429791
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoic acid
CID 7258532
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(ethylcarbamoyl)acetamide
CID 25376066
(2R,6R)-4-[(4-bromo-3-methylphenyl)methyl]-6-methylmorpholine-2-carboxamide
CID 124516000
2-amino-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 104959272
2-[5-[(2,6-dimethylmorpholin-4-yl)methyl]tetrazol-1-yl]acetic acid;hydrochloride
CID 46736953
methyl 2-(2,6-dimethylmorpholin-4-yl)acetate
CID 22198251
1-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-one
CID 43219275
(2S,6R)-4-[(2R)-2-(3-chlorophenyl)propyl]-6-methylmorpholine-2-carboxamide
CID 99857105
(6R)-4-[2-(3-bromophenyl)propyl]-6-methylmorpholine-2-carboxamide
CID 84594008

Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-2-carbamoyl-6-methylmorpholin-4-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[(6R)-2-carbamoyl-6-methylmorpholin-4-yl]acetic acid;hydrochloride (CID 130735459) is 2-[(6R)-2-carbamoyl-6-methylmorpholin-4-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[(6R)-2-carbamoyl-6-methylmorpholin-4-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[(6R)-2-carbamoyl-6-methylmorpholin-4-yl]acetic acid;hydrochloride is C[C@@H]1CN(CC(=O)O)CC(C(N)=O)O1.Cl.
What is the InChIKey of 2-[(6R)-2-carbamoyl-6-methylmorpholin-4-yl]acetic acid;hydrochloride?
The InChIKey is AKFOFIOBYREPEO-VQALBSKCSA-N. The full InChI is InChI=1S/C8H14N2O4.ClH/c1-5-2-10(4-7(11)12)3-6(14-5)8(9)13;/h5-6H,2-4H2,1H3,(H2,9,13)(H,11,12);1H/t5-,6?;/m1./s1.
What are the key properties of 2-[(6R)-2-carbamoyl-6-methylmorpholin-4-yl]acetic acid;hydrochloride?
2-[(6R)-2-carbamoyl-6-methylmorpholin-4-yl]acetic acid;hydrochloride has a molecular weight of 238.67 g/mol, XLogP of -0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-2-carbamoyl-6-methylmorpholin-4-yl]acetic acid;hydrochloride is sourced from PubChem (CID 130735459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).