dimethyl (2S)-2-(diethylamino)butanedioate

C10H19NO4 — CID 7060831

IUPACdimethyl (2S)-2-(diethylamino)butanedioate
SMILESCCN(CC)[C@@H](CC(=O)OC)C(=O)OC
InChIInChI=1S/C10H19NO4/c1-5-11(6-2)8(10(13)15-4)7-9(12)14-3/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyPQHYYXVASCGPFJ-QMMMGPOBSA-N
MW217.26 g/mol
LogP0.43
Rot. Bonds6

About dimethyl (2S)-2-(diethylamino)butanedioate

dimethyl (2S)-2-(diethylamino)butanedioate (PubChem CID 7060831) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is dimethyl (2S)-2-(diethylamino)butanedioate.

Molecular Properties

Compound Namedimethyl (2S)-2-(diethylamino)butanedioate
PubChem CID7060831
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namedimethyl (2S)-2-(diethylamino)butanedioate
SMILESCCN(CC)[C@@H](CC(=O)OC)C(=O)OC
InChIInChI=1S/C10H19NO4/c1-5-11(6-2)8(10(13)15-4)7-9(12)14-3/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyPQHYYXVASCGPFJ-QMMMGPOBSA-N
XLogP0.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze dimethyl (2S)-2-(diethylamino)butanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R)-2-(diethylamino)butanoate
CID 30030921
dimethyl 2-[[diethoxy(methoxy)silyl]-ethylamino]butanedioate
CID 87149294
methyl 3-(diethylamino)-4-hydroxybutanoate
CID 105443683
dimethyl 2-[2,2-dimethoxyethoxysilyl(ethyl)amino]butanedioate
CID 154101002
methyl 2-(dimethylamino)butanoate
CID 14644900
methyl 3-[ethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 62026047
dimethyl (2R,3S)-2,3-dihydroxypentanedioate
CID 10943312
dimethyl (2S,3R)-2,3-dihydroxypentanedioate
CID 132966642
dimethyl (2R)-2-aminobutanedioate
CID 6994535
methyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]butanoate
CID 61448932
1-O-ethyl 4-O-methyl (2S)-2-(dibenzylamino)butanedioate
CID 102477689
methyl 3,4-dimethylpentanoate
CID 554058

Frequently Asked Questions

What is the IUPAC name of dimethyl (2S)-2-(diethylamino)butanedioate?
The IUPAC name of dimethyl (2S)-2-(diethylamino)butanedioate (CID 7060831) is dimethyl (2S)-2-(diethylamino)butanedioate.
What is the SMILES notation for dimethyl (2S)-2-(diethylamino)butanedioate?
The canonical SMILES for dimethyl (2S)-2-(diethylamino)butanedioate is CCN(CC)[C@@H](CC(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl (2S)-2-(diethylamino)butanedioate?
The InChIKey is PQHYYXVASCGPFJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NO4/c1-5-11(6-2)8(10(13)15-4)7-9(12)14-3/h8H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of dimethyl (2S)-2-(diethylamino)butanedioate?
dimethyl (2S)-2-(diethylamino)butanedioate has a molecular weight of 217.26 g/mol, XLogP of 0.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2S)-2-(diethylamino)butanedioate is sourced from PubChem (CID 7060831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).