2-(ethylamino)butanedioic acid

C6H11NO4 — CID 21715

IUPAC2-(ethylamino)butanedioic acid
SMILESCCNC(CC(=O)O)C(=O)O
InChIInChI=1S/C6H11NO4/c1-2-7-4(6(10)11)3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyDRMDGQXVYQXMFW-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.48
Rot. Bonds5

About 2-(ethylamino)butanedioic acid

2-(ethylamino)butanedioic acid (PubChem CID 21715) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-(ethylamino)butanedioic acid.

Molecular Properties

Compound Name2-(ethylamino)butanedioic acid
PubChem CID21715
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name2-(ethylamino)butanedioic acid
SMILESCCNC(CC(=O)O)C(=O)O
InChIInChI=1S/C6H11NO4/c1-2-7-4(6(10)11)3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyDRMDGQXVYQXMFW-UHFFFAOYSA-N
XLogP-0.48
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)butanedioic acid?
The IUPAC name of 2-(ethylamino)butanedioic acid (CID 21715) is 2-(ethylamino)butanedioic acid.
What is the SMILES notation for 2-(ethylamino)butanedioic acid?
The canonical SMILES for 2-(ethylamino)butanedioic acid is CCNC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-(ethylamino)butanedioic acid?
The InChIKey is DRMDGQXVYQXMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-2-7-4(6(10)11)3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-(ethylamino)butanedioic acid?
2-(ethylamino)butanedioic acid has a molecular weight of 161.16 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)butanedioic acid is sourced from PubChem (CID 21715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).