methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate

C10H19NO3 — CID 30031078

IUPACmethyl (2R)-3-methyl-2-morpholin-4-ylbutanoate
SMILESCOC(=O)[C@@H](C(C)C)N1CCOCC1
InChIInChI=1S/C10H19NO3/c1-8(2)9(10(12)13-3)11-4-6-14-7-5-11/h8-9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyVAKTWNQBYUDNBK-SECBINFHSA-N
MW201.27 g/mol
LogP0.52
Rot. Bonds3

About methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate

methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate (PubChem CID 30031078) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate.

Molecular Properties

Compound Namemethyl (2R)-3-methyl-2-morpholin-4-ylbutanoate
PubChem CID30031078
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl (2R)-3-methyl-2-morpholin-4-ylbutanoate
SMILESCOC(=O)[C@@H](C(C)C)N1CCOCC1
InChIInChI=1S/C10H19NO3/c1-8(2)9(10(12)13-3)11-4-6-14-7-5-11/h8-9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyVAKTWNQBYUDNBK-SECBINFHSA-N
XLogP0.52
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Piperazinium, 4-(1-carboxy-2-methylpropyl)-1-ethyl-1-methyl-, iodide, ethyl ester
CID 3065843
Methyl 3-Morpholinobutanoate
CID 15095655
2-(2,6-Dimethylmorpholin-4-yl)-3-methylbutanoic acid hydrochloride
CID 45792325
Methyl 2-morpholinobutanoate
CID 11286908
Ethyl 2-morpholin-4-ylpropanoate
CID 13022013
methyl (2S)-2-(dimethylamino)-3-methylbutanoate
CID 14498343
Methyl 2-(4-morpholinyl)propanoate
CID 15164418
Ethyl 2-piperidinobutanoate
CID 15525951
3-Methyl-2-morpholin-4-ylbutanal
CID 54487582
Ethyl 2-(dibutylamino)butanoate
CID 64662668
3,3-Dimethyl-4-(3-methylbutanoyl)morpholin-2-one
CID 24316104
Ethyl 2-(2-cyclopropyl-6-methylmorpholin-4-yl)propanoate
CID 121548208

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate?
The IUPAC name of methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate (CID 30031078) is methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate.
What is the SMILES notation for methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate?
The canonical SMILES for methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate is COC(=O)[C@@H](C(C)C)N1CCOCC1.
What is the InChIKey of methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate?
The InChIKey is VAKTWNQBYUDNBK-SECBINFHSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(2)9(10(12)13-3)11-4-6-14-7-5-11/h8-9H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate?
methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate has a molecular weight of 201.27 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate is sourced from PubChem (CID 30031078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).