methyl 2-[(4-ethylmorpholin-2-yl)methylamino]butanoate

C12H24N2O3 — CID 113235641

IUPACmethyl 2-[(4-ethylmorpholin-2-yl)methylamino]butanoate
SMILESCCC(NCC1CN(CC)CCO1)C(=O)OC
InChIInChI=1S/C12H24N2O3/c1-4-11(12(15)16-3)13-8-10-9-14(5-2)6-7-17-10/h10-11,13H,4-9H2,1-3H3
InChIKeySPQSAHHTJZFMOP-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.25
Rot. Bonds6

About methyl 2-[(4-ethylmorpholin-2-yl)methylamino]butanoate

methyl 2-[(4-ethylmorpholin-2-yl)methylamino]butanoate (PubChem CID 113235641) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 2-[(4-ethylmorpholin-2-yl)methylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-[(4-ethylmorpholin-2-yl)methylamino]butanoate
PubChem CID113235641
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 2-[(4-ethylmorpholin-2-yl)methylamino]butanoate
SMILESCCC(NCC1CN(CC)CCO1)C(=O)OC
InChIInChI=1S/C12H24N2O3/c1-4-11(12(15)16-3)13-8-10-9-14(5-2)6-7-17-10/h10-11,13H,4-9H2,1-3H3
InChIKeySPQSAHHTJZFMOP-UHFFFAOYSA-N
XLogP0.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoate
CID 60693583
3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid
CID 114399804
N-[(4-ethylmorpholin-2-yl)methyl]-1-methoxybutan-2-amine
CID 79164627
N-ethyl-2-[(4-ethylmorpholin-2-yl)methylamino]propanamide
CID 78960400
N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxyacetamide
CID 115629823
methyl 3-(2-ethylmorpholin-4-yl)-2-methylpropanoate
CID 43562855
N-[(4-ethylmorpholin-2-yl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115919948
2-[(4-ethylmorpholin-2-yl)methylamino]ethyl carbamate
CID 83210717
(2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 104921013
2-[(4-ethylmorpholin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
CID 115623786
methyl 2-acetamido-3-(2-ethylmorpholin-4-yl)propanoate
CID 65442042
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide
CID 114400114

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-ethylmorpholin-2-yl)methylamino]butanoate?
The IUPAC name of methyl 2-[(4-ethylmorpholin-2-yl)methylamino]butanoate (CID 113235641) is methyl 2-[(4-ethylmorpholin-2-yl)methylamino]butanoate.
What is the SMILES notation for methyl 2-[(4-ethylmorpholin-2-yl)methylamino]butanoate?
The canonical SMILES for methyl 2-[(4-ethylmorpholin-2-yl)methylamino]butanoate is CCC(NCC1CN(CC)CCO1)C(=O)OC.
What is the InChIKey of methyl 2-[(4-ethylmorpholin-2-yl)methylamino]butanoate?
The InChIKey is SPQSAHHTJZFMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-11(12(15)16-3)13-8-10-9-14(5-2)6-7-17-10/h10-11,13H,4-9H2,1-3H3.
What are the key properties of methyl 2-[(4-ethylmorpholin-2-yl)methylamino]butanoate?
methyl 2-[(4-ethylmorpholin-2-yl)methylamino]butanoate has a molecular weight of 244.33 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-ethylmorpholin-2-yl)methylamino]butanoate is sourced from PubChem (CID 113235641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).