methyl 3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propanoate

C11H21NO4 — CID 24771623

IUPACmethyl 3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propanoate
SMILESCOC(=O)CCN(CCC(=O)OC)C(C)C
InChIInChI=1S/C11H21NO4/c1-9(2)12(7-5-10(13)15-3)8-6-11(14)16-4/h9H,5-8H2,1-4H3
InChIKeyMUGTWUTYHDGLJE-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.82
Rot. Bonds7

About methyl 3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propanoate

methyl 3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propanoate (PubChem CID 24771623) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propanoate
PubChem CID24771623
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethyl 3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propanoate
SMILESCOC(=O)CCN(CCC(=O)OC)C(C)C
InChIInChI=1S/C11H21NO4/c1-9(2)12(7-5-10(13)15-3)8-6-11(14)16-4/h9H,5-8H2,1-4H3
InChIKeyMUGTWUTYHDGLJE-UHFFFAOYSA-N
XLogP0.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 3-(diethylamino)propionate
CID 79649
Methyl 3-(diethylamino)propanoate
CID 219165
Ethyl 3-(dipropylamino)propanoate
CID 98749
N,N-Di-(beta-carboethoxyethyl)methylamine
CID 228362
Methyl 3-[(3-methoxy-3-oxopropyl)(methyl)amino]propanoate hydrochloride
CID 2909454
Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate
CID 66925
(3-Methoxy-2-methyl-3-oxopropyl)-trimethylazanium
CID 4092
Methyl 3-(diethylamino)-2-methylpropanoate
CID 3015533
methyl N-cyclopropyl-N-(3-methoxy-3-oxopropyl)-beta-alaninate
CID 379579
Ammonium, (2-carboxyethyl)trimethyl-, perchlorate, methyl ester
CID 27988
3-Ethoxy-N-ethyl-N,N-dimethyl-3-oxopropan-1-aminium iodide
CID 30907
Ammonium, (2-carboxyethyl)diethylmethyl-, iodide, ethyl ester
CID 30909

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propanoate?
The IUPAC name of methyl 3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propanoate (CID 24771623) is methyl 3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propanoate.
What is the SMILES notation for methyl 3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propanoate?
The canonical SMILES for methyl 3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propanoate is COC(=O)CCN(CCC(=O)OC)C(C)C.
What is the InChIKey of methyl 3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propanoate?
The InChIKey is MUGTWUTYHDGLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-9(2)12(7-5-10(13)15-3)8-6-11(14)16-4/h9H,5-8H2,1-4H3.
What are the key properties of methyl 3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propanoate?
methyl 3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propanoate has a molecular weight of 231.29 g/mol, XLogP of 0.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propanoate is sourced from PubChem (CID 24771623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).