methyl 2-[2-(cyclopropylmethoxy)ethyl-methylamino]acetate

C10H19NO3 — CID 79006432

IUPACmethyl 2-[2-(cyclopropylmethoxy)ethyl-methylamino]acetate
SMILESCOC(=O)CN(C)CCOCC1CC1
InChIInChI=1S/C10H19NO3/c1-11(7-10(12)13-2)5-6-14-8-9-3-4-9/h9H,3-8H2,1-2H3
InChIKeyKBWHWQYLPDWCQK-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.52
Rot. Bonds7

About methyl 2-[2-(cyclopropylmethoxy)ethyl-methylamino]acetate

methyl 2-[2-(cyclopropylmethoxy)ethyl-methylamino]acetate (PubChem CID 79006432) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-[2-(cyclopropylmethoxy)ethyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(cyclopropylmethoxy)ethyl-methylamino]acetate
PubChem CID79006432
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-[2-(cyclopropylmethoxy)ethyl-methylamino]acetate
SMILESCOC(=O)CN(C)CCOCC1CC1
InChIInChI=1S/C10H19NO3/c1-11(7-10(12)13-2)5-6-14-8-9-3-4-9/h9H,3-8H2,1-2H3
InChIKeyKBWHWQYLPDWCQK-UHFFFAOYSA-N
XLogP0.52
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-2-[2-(cyclopropylmethoxy)ethyl-methylamino]ethanone
CID 104750980
methyl 4-(cyclopropylmethoxy)butanoate
CID 43378160
N-tert-butyl-N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103071055
methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
CID 60658617
ethyl 4-[2-(cyclopropylmethoxy)ethyl-methylamino]-3-hydroxybutanoate
CID 82769393
3-cyclohexyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea
CID 115686592
N-[2-(cyclopropylmethoxy)ethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119813290
1-N-[2-(cyclopropylmethoxy)ethyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 107505898
N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N,2-dimethylpropanamide
CID 103430227
4-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498802
N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide
CID 107032708
1-[[2-(cyclopropylmethoxy)ethyl-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163350

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(cyclopropylmethoxy)ethyl-methylamino]acetate?
The IUPAC name of methyl 2-[2-(cyclopropylmethoxy)ethyl-methylamino]acetate (CID 79006432) is methyl 2-[2-(cyclopropylmethoxy)ethyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[2-(cyclopropylmethoxy)ethyl-methylamino]acetate?
The canonical SMILES for methyl 2-[2-(cyclopropylmethoxy)ethyl-methylamino]acetate is COC(=O)CN(C)CCOCC1CC1.
What is the InChIKey of methyl 2-[2-(cyclopropylmethoxy)ethyl-methylamino]acetate?
The InChIKey is KBWHWQYLPDWCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-11(7-10(12)13-2)5-6-14-8-9-3-4-9/h9H,3-8H2,1-2H3.
What are the key properties of methyl 2-[2-(cyclopropylmethoxy)ethyl-methylamino]acetate?
methyl 2-[2-(cyclopropylmethoxy)ethyl-methylamino]acetate has a molecular weight of 201.27 g/mol, XLogP of 0.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(cyclopropylmethoxy)ethyl-methylamino]acetate is sourced from PubChem (CID 79006432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).