dimethyl 2-(ethylamino)butanedioate

C8H15NO4 — CID 86191387

IUPACdimethyl 2-(ethylamino)butanedioate
SMILESCCNC(CC(=O)OC)C(=O)OC
InChIInChI=1S/C8H15NO4/c1-4-9-6(8(11)13-3)5-7(10)12-2/h6,9H,4-5H2,1-3H3
InChIKeyKGQHBVKQSPWWRF-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.30
Rot. Bonds5

About dimethyl 2-(ethylamino)butanedioate

dimethyl 2-(ethylamino)butanedioate (PubChem CID 86191387) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is dimethyl 2-(ethylamino)butanedioate.

Molecular Properties

Compound Namedimethyl 2-(ethylamino)butanedioate
PubChem CID86191387
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Namedimethyl 2-(ethylamino)butanedioate
SMILESCCNC(CC(=O)OC)C(=O)OC
InChIInChI=1S/C8H15NO4/c1-4-9-6(8(11)13-3)5-7(10)12-2/h6,9H,4-5H2,1-3H3
InChIKeyKGQHBVKQSPWWRF-UHFFFAOYSA-N
XLogP-0.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Nmda
CID 22880
N-Methylaspartic acid
CID 4376
Tetrasodium Iminodisuccinate
CID 9927753
(S)-Diethyl 2-acetamidosuccinate
CID 11806500
2,3-diethyl (2S,3S)-aziridine-2,3-dicarboxylate
CID 10058275
7,10-Dioxa-3,14-diazahexadecane-1,2,15,16-tetracarboxylic acid, 1,2,15,16-tetraethyl ester
CID 57350411
N-Methyl-L-aspartic acid
CID 92982
2,3-Dicarbethoxyaziridine
CID 559200
Aspartic acid, N-ethyl-, DL-
CID 21715
Iminodisuccinic acid
CID 131409
L-Aspartic acid, N-acetyl-, dimethyl ester
CID 13818106
2,3-diethyl (2R,3R)-aziridine-2,3-dicarboxylate
CID 11819790

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(ethylamino)butanedioate?
The IUPAC name of dimethyl 2-(ethylamino)butanedioate (CID 86191387) is dimethyl 2-(ethylamino)butanedioate.
What is the SMILES notation for dimethyl 2-(ethylamino)butanedioate?
The canonical SMILES for dimethyl 2-(ethylamino)butanedioate is CCNC(CC(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-(ethylamino)butanedioate?
The InChIKey is KGQHBVKQSPWWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-4-9-6(8(11)13-3)5-7(10)12-2/h6,9H,4-5H2,1-3H3.
What are the key properties of dimethyl 2-(ethylamino)butanedioate?
dimethyl 2-(ethylamino)butanedioate has a molecular weight of 189.21 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(ethylamino)butanedioate is sourced from PubChem (CID 86191387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).