ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid

C12H27NO3 — CID 145006678

IUPACethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid
SMILESCC.CC.CN1CCO[C@H](CCC(=O)O)C1
InChIInChI=1S/C8H15NO3.2C2H6/c1-9-4-5-12-7(6-9)2-3-8(10)11;2*1-2/h7H,2-6H2,1H3,(H,10,11);2*1-2H3/t7-;;/m1../s1
InChIKeyPOSZYVZYJKGDAP-XCUBXKJBSA-N
MW233.35 g/mol
LogP2.23
Rot. Bonds3

About ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid

ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid (PubChem CID 145006678) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid.

Molecular Properties

Compound Nameethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid
PubChem CID145006678
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Nameethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid
SMILESCC.CC.CN1CCO[C@H](CCC(=O)O)C1
InChIInChI=1S/C8H15NO3.2C2H6/c1-9-4-5-12-7(6-9)2-3-8(10)11;2*1-2/h7H,2-6H2,1H3,(H,10,11);2*1-2H3/t7-;;/m1../s1
InChIKeyPOSZYVZYJKGDAP-XCUBXKJBSA-N
XLogP2.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid
CID 95426355
3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid
CID 95328025
3-[4-(2-methoxyethyl)morpholin-2-yl]propanoic acid
CID 117008804
2-(4-methylmorpholin-2-yl)ethanamine
CID 19961939
2-[(2-amino-2-oxoethyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetic acid
CID 107440392
4-methyl-2-(3-methylbutyl)morpholine
CID 59613546
ethane;2-ethyl-4-methylmorpholine;methane
CID 178051294
N,N-dimethyl-2-(4-methylmorpholin-2-yl)acetamide
CID 143368869
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
2-[(4-methylmorpholin-2-yl)methyl-propan-2-ylamino]acetic acid
CID 79182955
1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid
CID 79182775

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid?
The IUPAC name of ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid (CID 145006678) is ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid.
What is the SMILES notation for ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid?
The canonical SMILES for ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid is CC.CC.CN1CCO[C@H](CCC(=O)O)C1.
What is the InChIKey of ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid?
The InChIKey is POSZYVZYJKGDAP-XCUBXKJBSA-N. The full InChI is InChI=1S/C8H15NO3.2C2H6/c1-9-4-5-12-7(6-9)2-3-8(10)11;2*1-2/h7H,2-6H2,1H3,(H,10,11);2*1-2H3/t7-;;/m1../s1.
What are the key properties of ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid?
ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid has a molecular weight of 233.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid is sourced from PubChem (CID 145006678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).