2-[carboxymethyl(hept-6-enoyl)amino]acetic acid

C11H17NO5 — CID 18764841

IUPAC2-[carboxymethyl(hept-6-enoyl)amino]acetic acid
SMILESC=CCCCCC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H17NO5/c1-2-3-4-5-6-9(13)12(7-10(14)15)8-11(16)17/h2H,1,3-8H2,(H,14,15)(H,16,17)
InChIKeyNUQHPCZHYYAZAP-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.73
Rot. Bonds9

About 2-[carboxymethyl(hept-6-enoyl)amino]acetic acid

2-[carboxymethyl(hept-6-enoyl)amino]acetic acid (PubChem CID 18764841) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[carboxymethyl(hept-6-enoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(hept-6-enoyl)amino]acetic acid
PubChem CID18764841
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name2-[carboxymethyl(hept-6-enoyl)amino]acetic acid
SMILESC=CCCCCC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H17NO5/c1-2-3-4-5-6-9(13)12(7-10(14)15)8-11(16)17/h2H,1,3-8H2,(H,14,15)(H,16,17)
InChIKeyNUQHPCZHYYAZAP-UHFFFAOYSA-N
XLogP0.73
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(hept-6-enoyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(hept-6-enoyl)amino]acetic acid (CID 18764841) is 2-[carboxymethyl(hept-6-enoyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(hept-6-enoyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(hept-6-enoyl)amino]acetic acid is C=CCCCCC(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(hept-6-enoyl)amino]acetic acid?
The InChIKey is NUQHPCZHYYAZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-2-3-4-5-6-9(13)12(7-10(14)15)8-11(16)17/h2H,1,3-8H2,(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl(hept-6-enoyl)amino]acetic acid?
2-[carboxymethyl(hept-6-enoyl)amino]acetic acid has a molecular weight of 243.26 g/mol, XLogP of 0.73, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(hept-6-enoyl)amino]acetic acid is sourced from PubChem (CID 18764841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).