4-[2-methoxyethyl(methyl)amino]-2-(methylamino)butanoic acid

C9H20N2O3 — CID 63055017

IUPAC4-[2-methoxyethyl(methyl)amino]-2-(methylamino)butanoic acid
SMILESCNC(CCN(C)CCOC)C(=O)O
InChIInChI=1S/C9H20N2O3/c1-10-8(9(12)13)4-5-11(2)6-7-14-3/h8,10H,4-7H2,1-3H3,(H,12,13)
InChIKeyYLPQGGXDUBJTTE-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.37
Rot. Bonds8

About 4-[2-methoxyethyl(methyl)amino]-2-(methylamino)butanoic acid

4-[2-methoxyethyl(methyl)amino]-2-(methylamino)butanoic acid (PubChem CID 63055017) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-[2-methoxyethyl(methyl)amino]-2-(methylamino)butanoic acid.

Molecular Properties

Compound Name4-[2-methoxyethyl(methyl)amino]-2-(methylamino)butanoic acid
PubChem CID63055017
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name4-[2-methoxyethyl(methyl)amino]-2-(methylamino)butanoic acid
SMILESCNC(CCN(C)CCOC)C(=O)O
InChIInChI=1S/C9H20N2O3/c1-10-8(9(12)13)4-5-11(2)6-7-14-3/h8,10H,4-7H2,1-3H3,(H,12,13)
InChIKeyYLPQGGXDUBJTTE-UHFFFAOYSA-N
XLogP-0.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-4-[methyl(pentyl)amino]butanoic acid
CID 63029021
5-[2-methoxyethyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
CID 22969792
methyl 4-[cyclopropyl(2-methoxyethyl)amino]-2-(methylamino)butanoate
CID 55145669
4-[cyclopropyl(2-methoxyethyl)amino]-2-(ethylamino)butanoic acid
CID 55145476
2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid
CID 81062128
4-[2-ethoxyethyl(methyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 81061462
4-hydroperoxy-2-(methylamino)butanoic acid
CID 59881531
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid
CID 104565015
methyl 4-[ethyl(2-methoxyethyl)amino]-2-(methylamino)butanoate
CID 63055174
2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-methylbutanoic acid
CID 103249699
4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)butanoic acid
CID 81074467
3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
CID 81086301

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl(methyl)amino]-2-(methylamino)butanoic acid?
The IUPAC name of 4-[2-methoxyethyl(methyl)amino]-2-(methylamino)butanoic acid (CID 63055017) is 4-[2-methoxyethyl(methyl)amino]-2-(methylamino)butanoic acid.
What is the SMILES notation for 4-[2-methoxyethyl(methyl)amino]-2-(methylamino)butanoic acid?
The canonical SMILES for 4-[2-methoxyethyl(methyl)amino]-2-(methylamino)butanoic acid is CNC(CCN(C)CCOC)C(=O)O.
What is the InChIKey of 4-[2-methoxyethyl(methyl)amino]-2-(methylamino)butanoic acid?
The InChIKey is YLPQGGXDUBJTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-10-8(9(12)13)4-5-11(2)6-7-14-3/h8,10H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 4-[2-methoxyethyl(methyl)amino]-2-(methylamino)butanoic acid?
4-[2-methoxyethyl(methyl)amino]-2-(methylamino)butanoic acid has a molecular weight of 204.27 g/mol, XLogP of -0.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(methyl)amino]-2-(methylamino)butanoic acid is sourced from PubChem (CID 63055017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).