methyl 2-(2,3-dimethoxypropylamino)butanoate

C10H21NO4 — CID 107302671

IUPACmethyl 2-(2,3-dimethoxypropylamino)butanoate
SMILESCCC(NCC(COC)OC)C(=O)OC
InChIInChI=1S/C10H21NO4/c1-5-9(10(12)15-4)11-6-8(14-3)7-13-2/h8-9,11H,5-7H2,1-4H3
InChIKeyKRTHCIVHFVZKHK-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.19
Rot. Bonds8

About methyl 2-(2,3-dimethoxypropylamino)butanoate

methyl 2-(2,3-dimethoxypropylamino)butanoate (PubChem CID 107302671) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 2-(2,3-dimethoxypropylamino)butanoate.

Molecular Properties

Compound Namemethyl 2-(2,3-dimethoxypropylamino)butanoate
PubChem CID107302671
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Namemethyl 2-(2,3-dimethoxypropylamino)butanoate
SMILESCCC(NCC(COC)OC)C(=O)OC
InChIInChI=1S/C10H21NO4/c1-5-9(10(12)15-4)11-6-8(14-3)7-13-2/h8-9,11H,5-7H2,1-4H3
InChIKeyKRTHCIVHFVZKHK-UHFFFAOYSA-N
XLogP0.19
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(2-hydroxyethyl)pentylamino]butanoate
CID 106114890
3-[(1-methoxy-1-oxobutan-2-yl)amino]propanoic acid
CID 115352380
methyl 2-(2,2,3-trimethylbutylamino)butanoate
CID 107302680
methyl 2-(cyclopropylmethylamino)butanoate
CID 61001350
methyl (2R)-2-(cyclopropylmethylamino)butanoate
CID 67121985
(2R)-3-[[[(2S)-1-methoxy-1-oxobutan-2-yl]amino]methyl]-2-methylhexanoic acid
CID 87372781
methyl 2-[(1-ethylcyclobutyl)methylamino]butanoate
CID 107302654
methyl (2R)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate
CID 99715442
2-(2-methoxybutoxy)ethyl methyl carbonate
CID 87247552
methyl (2S)-2-acetamidobutanoate
CID 11084154
N-(2,3-dimethoxypropyl)-2-hydroxy-2-methylpropanamide
CID 106509940
methyl 2-(ethylamino)-4-methoxybutanoate
CID 63041387

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dimethoxypropylamino)butanoate?
The IUPAC name of methyl 2-(2,3-dimethoxypropylamino)butanoate (CID 107302671) is methyl 2-(2,3-dimethoxypropylamino)butanoate.
What is the SMILES notation for methyl 2-(2,3-dimethoxypropylamino)butanoate?
The canonical SMILES for methyl 2-(2,3-dimethoxypropylamino)butanoate is CCC(NCC(COC)OC)C(=O)OC.
What is the InChIKey of methyl 2-(2,3-dimethoxypropylamino)butanoate?
The InChIKey is KRTHCIVHFVZKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-5-9(10(12)15-4)11-6-8(14-3)7-13-2/h8-9,11H,5-7H2,1-4H3.
What are the key properties of methyl 2-(2,3-dimethoxypropylamino)butanoate?
methyl 2-(2,3-dimethoxypropylamino)butanoate has a molecular weight of 219.28 g/mol, XLogP of 0.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dimethoxypropylamino)butanoate is sourced from PubChem (CID 107302671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).