methyl 3-(2-morpholin-4-ylethylamino)butanoate

C11H22N2O3 — CID 43536761

IUPACmethyl 3-(2-morpholin-4-ylethylamino)butanoate
SMILESCOC(=O)CC(C)NCCN1CCOCC1
InChIInChI=1S/C11H22N2O3/c1-10(9-11(14)15-2)12-3-4-13-5-7-16-8-6-13/h10,12H,3-9H2,1-2H3
InChIKeyQVRSGKGZAKOLRP-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.14
Rot. Bonds6

About methyl 3-(2-morpholin-4-ylethylamino)butanoate

methyl 3-(2-morpholin-4-ylethylamino)butanoate (PubChem CID 43536761) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 3-(2-morpholin-4-ylethylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-(2-morpholin-4-ylethylamino)butanoate
PubChem CID43536761
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 3-(2-morpholin-4-ylethylamino)butanoate
SMILESCOC(=O)CC(C)NCCN1CCOCC1
InChIInChI=1S/C11H22N2O3/c1-10(9-11(14)15-2)12-3-4-13-5-7-16-8-6-13/h10,12H,3-9H2,1-2H3
InChIKeyQVRSGKGZAKOLRP-UHFFFAOYSA-N
XLogP-0.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethylsulfonyl-N-(2-morpholin-4-ylethyl)propan-2-amine
CID 113494494
ethyl 3-(2-morpholin-4-ylethylamino)-4-oxopentanoate
CID 82322156
methyl 2-methyl-3-(3-morpholin-4-ylpropylamino)butanoate
CID 79392477
methyl 2-morpholin-4-ylacetate
CID 1268178
2-(2-morpholin-4-ylethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083600
3-methyl-2-(2-morpholin-4-ylethylamino)butan-1-ol
CID 79250355
methyl 3-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoate
CID 4221669
2-amino-N-(2-morpholin-4-ylethyl)propanamide;dihydrochloride
CID 119827782
methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]butanoate
CID 114283759
N-(2-morpholin-4-ylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541011
2-(2-morpholin-4-ylethylamino)butan-1-ol
CID 43393515
2-(2-morpholin-4-ylethylamino)-N-pentan-2-ylacetamide
CID 60687135

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-morpholin-4-ylethylamino)butanoate?
The IUPAC name of methyl 3-(2-morpholin-4-ylethylamino)butanoate (CID 43536761) is methyl 3-(2-morpholin-4-ylethylamino)butanoate.
What is the SMILES notation for methyl 3-(2-morpholin-4-ylethylamino)butanoate?
The canonical SMILES for methyl 3-(2-morpholin-4-ylethylamino)butanoate is COC(=O)CC(C)NCCN1CCOCC1.
What is the InChIKey of methyl 3-(2-morpholin-4-ylethylamino)butanoate?
The InChIKey is QVRSGKGZAKOLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-10(9-11(14)15-2)12-3-4-13-5-7-16-8-6-13/h10,12H,3-9H2,1-2H3.
What are the key properties of methyl 3-(2-morpholin-4-ylethylamino)butanoate?
methyl 3-(2-morpholin-4-ylethylamino)butanoate has a molecular weight of 230.31 g/mol, XLogP of -0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-morpholin-4-ylethylamino)butanoate is sourced from PubChem (CID 43536761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).