2-[carboxymethyl(hex-5-enoyl)amino]acetic acid

C10H15NO5 — CID 18764843

IUPAC2-[carboxymethyl(hex-5-enoyl)amino]acetic acid
SMILESC=CCCCC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H15NO5/c1-2-3-4-5-8(12)11(6-9(13)14)7-10(15)16/h2H,1,3-7H2,(H,13,14)(H,15,16)
InChIKeyTWLPDHSVZQRKHW-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.34
Rot. Bonds8

About 2-[carboxymethyl(hex-5-enoyl)amino]acetic acid

2-[carboxymethyl(hex-5-enoyl)amino]acetic acid (PubChem CID 18764843) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-[carboxymethyl(hex-5-enoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(hex-5-enoyl)amino]acetic acid
PubChem CID18764843
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name2-[carboxymethyl(hex-5-enoyl)amino]acetic acid
SMILESC=CCCCC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H15NO5/c1-2-3-4-5-8(12)11(6-9(13)14)7-10(15)16/h2H,1,3-7H2,(H,13,14)(H,15,16)
InChIKeyTWLPDHSVZQRKHW-UHFFFAOYSA-N
XLogP0.34
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.34
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(hex-5-enoyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(hex-5-enoyl)amino]acetic acid (CID 18764843) is 2-[carboxymethyl(hex-5-enoyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(hex-5-enoyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(hex-5-enoyl)amino]acetic acid is C=CCCCC(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(hex-5-enoyl)amino]acetic acid?
The InChIKey is TWLPDHSVZQRKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-2-3-4-5-8(12)11(6-9(13)14)7-10(15)16/h2H,1,3-7H2,(H,13,14)(H,15,16).
What are the key properties of 2-[carboxymethyl(hex-5-enoyl)amino]acetic acid?
2-[carboxymethyl(hex-5-enoyl)amino]acetic acid has a molecular weight of 229.23 g/mol, XLogP of 0.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(hex-5-enoyl)amino]acetic acid is sourced from PubChem (CID 18764843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).