methyl 4-[cyclopropyl(2-methoxyethyl)amino]-2-(methylamino)butanoate

C12H24N2O3 — CID 55145669

IUPACmethyl 4-[cyclopropyl(2-methoxyethyl)amino]-2-(methylamino)butanoate
SMILESCNC(CCN(CCOC)C1CC1)C(=O)OC
InChIInChI=1S/C12H24N2O3/c1-13-11(12(15)17-3)6-7-14(8-9-16-2)10-4-5-10/h10-11,13H,4-9H2,1-3H3
InChIKeyBDDBRKSRIFZCJO-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.25
Rot. Bonds9

About methyl 4-[cyclopropyl(2-methoxyethyl)amino]-2-(methylamino)butanoate

methyl 4-[cyclopropyl(2-methoxyethyl)amino]-2-(methylamino)butanoate (PubChem CID 55145669) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 4-[cyclopropyl(2-methoxyethyl)amino]-2-(methylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-[cyclopropyl(2-methoxyethyl)amino]-2-(methylamino)butanoate
PubChem CID55145669
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 4-[cyclopropyl(2-methoxyethyl)amino]-2-(methylamino)butanoate
SMILESCNC(CCN(CCOC)C1CC1)C(=O)OC
InChIInChI=1S/C12H24N2O3/c1-13-11(12(15)17-3)6-7-14(8-9-16-2)10-4-5-10/h10-11,13H,4-9H2,1-3H3
InChIKeyBDDBRKSRIFZCJO-UHFFFAOYSA-N
XLogP0.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
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-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate
CID 78923975
4-[cyclopropyl(2-methoxyethyl)amino]-2-(ethylamino)butanoic acid
CID 55145476
methyl 4-[ethyl(2-methoxyethyl)amino]-2-(methylamino)butanoate
CID 63055174
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)butanoate
CID 78923978
4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanamide
CID 63029394
3-[cyclopropyl(2-methoxyethyl)amino]-2-methylpropanehydrazide
CID 63583449
methyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate
CID 55142969
4-[2-methoxyethyl(methyl)amino]-2-(methylamino)butanoic acid
CID 63055017
4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanoic acid
CID 63027479
1-N-cyclopropyl-1-N-(2-methoxyethyl)-4,4-dimethylpentane-1,3-diamine
CID 62624688
1-N-cyclopropyl-1-N-(2-methoxyethyl)-4-N-methylhexane-1,4-diamine
CID 106799560
methyl 2-(methylamino)-4-[methyl-(1-methylpiperidin-3-yl)amino]butanoate
CID 63054552

Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclopropyl(2-methoxyethyl)amino]-2-(methylamino)butanoate?
The IUPAC name of methyl 4-[cyclopropyl(2-methoxyethyl)amino]-2-(methylamino)butanoate (CID 55145669) is methyl 4-[cyclopropyl(2-methoxyethyl)amino]-2-(methylamino)butanoate.
What is the SMILES notation for methyl 4-[cyclopropyl(2-methoxyethyl)amino]-2-(methylamino)butanoate?
The canonical SMILES for methyl 4-[cyclopropyl(2-methoxyethyl)amino]-2-(methylamino)butanoate is CNC(CCN(CCOC)C1CC1)C(=O)OC.
What is the InChIKey of methyl 4-[cyclopropyl(2-methoxyethyl)amino]-2-(methylamino)butanoate?
The InChIKey is BDDBRKSRIFZCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-13-11(12(15)17-3)6-7-14(8-9-16-2)10-4-5-10/h10-11,13H,4-9H2,1-3H3.
What are the key properties of methyl 4-[cyclopropyl(2-methoxyethyl)amino]-2-(methylamino)butanoate?
methyl 4-[cyclopropyl(2-methoxyethyl)amino]-2-(methylamino)butanoate has a molecular weight of 244.33 g/mol, XLogP of 0.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclopropyl(2-methoxyethyl)amino]-2-(methylamino)butanoate is sourced from PubChem (CID 55145669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).