dimethyl 2-[(dimethylamino)methyl]butanedioate

C9H17NO4 — CID 11106437

IUPACdimethyl 2-[(dimethylamino)methyl]butanedioate
SMILESCOC(=O)CC(CN(C)C)C(=O)OC
InChIInChI=1S/C9H17NO4/c1-10(2)6-7(9(12)14-4)5-8(11)13-3/h7H,5-6H2,1-4H3
InChIKeyVSAVDZNACQRUDO-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.10
Rot. Bonds5

About dimethyl 2-[(dimethylamino)methyl]butanedioate

dimethyl 2-[(dimethylamino)methyl]butanedioate (PubChem CID 11106437) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is dimethyl 2-[(dimethylamino)methyl]butanedioate.

Molecular Properties

Compound Namedimethyl 2-[(dimethylamino)methyl]butanedioate
PubChem CID11106437
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Namedimethyl 2-[(dimethylamino)methyl]butanedioate
SMILESCOC(=O)CC(CN(C)C)C(=O)OC
InChIInChI=1S/C9H17NO4/c1-10(2)6-7(9(12)14-4)5-8(11)13-3/h7H,5-6H2,1-4H3
InChIKeyVSAVDZNACQRUDO-UHFFFAOYSA-N
XLogP-0.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze dimethyl 2-[(dimethylamino)methyl]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

dimethyl 2-[[formyl(methyl)amino]methyl]butanedioate
CID 25128449
trimethyl hexane-1,2,4-tricarboxylate
CID 58784992
dimethyl 2-phosphanylbutanedioate
CID 57266092
(4-methoxy-2-methoxycarbonyl-4-oxobutyl)-oxido-oxophosphanium
CID 6372064
2-[(dimethylamino)methyl]-4-oxo-4-[(E)-pent-2-enoxy]butanoic acid
CID 58988459
dimethyl (2R)-2-aminobutanedioate
CID 6994535
methyl 3,4-dimethylpentanoate
CID 554058
(4-methoxy-2-methoxycarbonyl-4-oxobutyl)sulfanylmethyl-trimethylazanium
CID 89220490
N,N-dimethylmethanamine;methyl 3-hydroxybutanoate
CID 174690053
methyl 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]butanoate
CID 54963779
methyl 2-ethylbutanoate;yttrium
CID 155577216
methyl 3,3-diaminopropanoate;hydrochloride
CID 140507920

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(dimethylamino)methyl]butanedioate?
The IUPAC name of dimethyl 2-[(dimethylamino)methyl]butanedioate (CID 11106437) is dimethyl 2-[(dimethylamino)methyl]butanedioate.
What is the SMILES notation for dimethyl 2-[(dimethylamino)methyl]butanedioate?
The canonical SMILES for dimethyl 2-[(dimethylamino)methyl]butanedioate is COC(=O)CC(CN(C)C)C(=O)OC.
What is the InChIKey of dimethyl 2-[(dimethylamino)methyl]butanedioate?
The InChIKey is VSAVDZNACQRUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-10(2)6-7(9(12)14-4)5-8(11)13-3/h7H,5-6H2,1-4H3.
What are the key properties of dimethyl 2-[(dimethylamino)methyl]butanedioate?
dimethyl 2-[(dimethylamino)methyl]butanedioate has a molecular weight of 203.24 g/mol, XLogP of -0.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(dimethylamino)methyl]butanedioate is sourced from PubChem (CID 11106437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).