methyl 2-chloro-3-[3-(2-methoxyethoxy)propylamino]propanoate

C10H20ClNO4 — CID 103491945

IUPACmethyl 2-chloro-3-[3-(2-methoxyethoxy)propylamino]propanoate
SMILESCOCCOCCCNCC(Cl)C(=O)OC
InChIInChI=1S/C10H20ClNO4/c1-14-6-7-16-5-3-4-12-8-9(11)10(13)15-2/h9,12H,3-8H2,1-2H3
InChIKeyZQUHNGXTZJBPFY-UHFFFAOYSA-N
MW253.73 g/mol
LogP0.41
Rot. Bonds10

About methyl 2-chloro-3-[3-(2-methoxyethoxy)propylamino]propanoate

methyl 2-chloro-3-[3-(2-methoxyethoxy)propylamino]propanoate (PubChem CID 103491945) has the molecular formula C10H20ClNO4 and a molecular weight of 253.73 g/mol. Its IUPAC name is methyl 2-chloro-3-[3-(2-methoxyethoxy)propylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-[3-(2-methoxyethoxy)propylamino]propanoate
PubChem CID103491945
Molecular FormulaC10H20ClNO4
Molecular Weight253.73 g/mol
Exact Mass253.11
IUPAC Namemethyl 2-chloro-3-[3-(2-methoxyethoxy)propylamino]propanoate
SMILESCOCCOCCCNCC(Cl)C(=O)OC
InChIInChI=1S/C10H20ClNO4/c1-14-6-7-16-5-3-4-12-8-9(11)10(13)15-2/h9,12H,3-8H2,1-2H3
InChIKeyZQUHNGXTZJBPFY-UHFFFAOYSA-N
XLogP0.41
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-chloro-3-(nonylamino)propanoate
CID 103491742
N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835
methyl 2-chloro-3-[2-(trifluoromethoxy)ethylamino]propanoate
CID 103491950
3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-1-amine
CID 103413068
2-ethyl-N-[3-(2-methoxyethoxy)propyl]butan-1-amine
CID 28720680
methyl 2-[3-(2-methoxyethoxy)propylamino]propanoate
CID 66173501
methyl 2-iodo-3-[2-(3-methoxypropoxy)ethylamino]propanoate
CID 103492196
3-ethyl-1-[3-(2-methoxyethoxy)propylamino]pentan-2-ol
CID 106286221
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
methyl 2-bromo-3-[3-(2,2,2-trifluoroethoxy)propylamino]propanoate
CID 103492218
1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol
CID 106990471
2-ethoxy-N-[3-(2-methoxyethoxy)propyl]propan-1-amine
CID 103409669

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-[3-(2-methoxyethoxy)propylamino]propanoate?
The IUPAC name of methyl 2-chloro-3-[3-(2-methoxyethoxy)propylamino]propanoate (CID 103491945) is methyl 2-chloro-3-[3-(2-methoxyethoxy)propylamino]propanoate.
What is the SMILES notation for methyl 2-chloro-3-[3-(2-methoxyethoxy)propylamino]propanoate?
The canonical SMILES for methyl 2-chloro-3-[3-(2-methoxyethoxy)propylamino]propanoate is COCCOCCCNCC(Cl)C(=O)OC.
What is the InChIKey of methyl 2-chloro-3-[3-(2-methoxyethoxy)propylamino]propanoate?
The InChIKey is ZQUHNGXTZJBPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO4/c1-14-6-7-16-5-3-4-12-8-9(11)10(13)15-2/h9,12H,3-8H2,1-2H3.
What are the key properties of methyl 2-chloro-3-[3-(2-methoxyethoxy)propylamino]propanoate?
methyl 2-chloro-3-[3-(2-methoxyethoxy)propylamino]propanoate has a molecular weight of 253.73 g/mol, XLogP of 0.41, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-[3-(2-methoxyethoxy)propylamino]propanoate is sourced from PubChem (CID 103491945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).