2-amino-4-ethylidenepentanedioic acid

C7H11NO4 — CID 73192539

IUPAC2-amino-4-ethylidenepentanedioic acid
SMILESCC=C(CC(N)C(=O)O)C(=O)O
InChIInChI=1S/C7H11NO4/c1-2-4(6(9)10)3-5(8)7(11)12/h2,5H,3,8H2,1H3,(H,9,10)(H,11,12)
InChIKeyAJGXZBAEOZHOEA-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.18
Rot. Bonds4

About 2-amino-4-ethylidenepentanedioic acid

2-amino-4-ethylidenepentanedioic acid (PubChem CID 73192539) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-amino-4-ethylidenepentanedioic acid.

Molecular Properties

Compound Name2-amino-4-ethylidenepentanedioic acid
PubChem CID73192539
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name2-amino-4-ethylidenepentanedioic acid
SMILESCC=C(CC(N)C(=O)O)C(=O)O
InChIInChI=1S/C7H11NO4/c1-2-4(6(9)10)3-5(8)7(11)12/h2,5H,3,8H2,1H3,(H,9,10)(H,11,12)
InChIKeyAJGXZBAEOZHOEA-UHFFFAOYSA-N
XLogP-0.18
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4Z)-2-amino-4-ethylidenepentanedioic acid
CID 57449464
2-amino-4-pentylidenepentanedioic acid
CID 54315107
(2S)-2-amino-4-methylhex-4-enoic acid
CID 70268414
(2S)-2-aminobutanedioic acid;2-oxopropanoic acid
CID 87851778
2-amino-4-ethylidenehept-5-enoic acid
CID 123282783
(2S)-2-amino-4-methylsulfanyl-4-oxobutanoic acid;hydrochloride
CID 171382737
(2R)-2-amino-4-methylhex-5-enoic acid
CID 143398016
acetaldehyde;(2R)-2-amino-4-methylpentanoic acid
CID 155104074
CID 131864134
CID 131864134
2-aminobutanedioic acid;molybdenum
CID 76550864
tris(2-aminobutanedioic acid);iron(3+)
CID 10456673
2-aminobutanedioic acid;selane
CID 174828111

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethylidenepentanedioic acid?
The IUPAC name of 2-amino-4-ethylidenepentanedioic acid (CID 73192539) is 2-amino-4-ethylidenepentanedioic acid.
What is the SMILES notation for 2-amino-4-ethylidenepentanedioic acid?
The canonical SMILES for 2-amino-4-ethylidenepentanedioic acid is CC=C(CC(N)C(=O)O)C(=O)O.
What is the InChIKey of 2-amino-4-ethylidenepentanedioic acid?
The InChIKey is AJGXZBAEOZHOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-2-4(6(9)10)3-5(8)7(11)12/h2,5H,3,8H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-amino-4-ethylidenepentanedioic acid?
2-amino-4-ethylidenepentanedioic acid has a molecular weight of 173.17 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethylidenepentanedioic acid is sourced from PubChem (CID 73192539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).