2-(carboxymethylamino)oct-7-enoic acid

C10H17NO4 — CID 131802917

IUPAC2-(carboxymethylamino)oct-7-enoic acid
SMILESC=CCCCCC(NCC(=O)O)C(=O)O
InChIInChI=1S/C10H17NO4/c1-2-3-4-5-6-8(10(14)15)11-7-9(12)13/h2,8,11H,1,3-7H2,(H,12,13)(H,14,15)
InChIKeyFWXQFYSUEBXQIO-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.86
Rot. Bonds9

About 2-(carboxymethylamino)oct-7-enoic acid

2-(carboxymethylamino)oct-7-enoic acid (PubChem CID 131802917) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-(carboxymethylamino)oct-7-enoic acid.

Molecular Properties

Compound Name2-(carboxymethylamino)oct-7-enoic acid
PubChem CID131802917
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-(carboxymethylamino)oct-7-enoic acid
SMILESC=CCCCCC(NCC(=O)O)C(=O)O
InChIInChI=1S/C10H17NO4/c1-2-3-4-5-6-8(10(14)15)11-7-9(12)13/h2,8,11H,1,3-7H2,(H,12,13)(H,14,15)
InChIKeyFWXQFYSUEBXQIO-UHFFFAOYSA-N
XLogP0.86
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.86
H-Bond Donors ≤ 53
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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Related Compounds

4-((Carboxymethyl)amino)dodecenyl-4-oxobutyric acid
CID 6437675
2-(Boc-amino)oct-7-enoic acid
CID 22556529
2-Acetamidonon-8-enoic acid
CID 16655536
2-Aminooct-7-enoic acid hydrochloride
CID 178200052
(S)-2-Acetamidonon-8-enoic acid
CID 52903641
(2S)-2-Aminonon-8-enoic acid
CID 16655537
Allyllysine
CID 54094013
Oleyllysine
CID 87313607
(2S)-2-methyl-2-(methylamino)oct-7-enoic acid
CID 163656905
(2R)-2-methyl-2-(methylamino)oct-7-enoic acid
CID 163656906
2-Amino-7-octenoic acid
CID 52911091
(S)-2-aminooct-7-enoic acid
CID 53302046

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethylamino)oct-7-enoic acid?
The IUPAC name of 2-(carboxymethylamino)oct-7-enoic acid (CID 131802917) is 2-(carboxymethylamino)oct-7-enoic acid.
What is the SMILES notation for 2-(carboxymethylamino)oct-7-enoic acid?
The canonical SMILES for 2-(carboxymethylamino)oct-7-enoic acid is C=CCCCCC(NCC(=O)O)C(=O)O.
What is the InChIKey of 2-(carboxymethylamino)oct-7-enoic acid?
The InChIKey is FWXQFYSUEBXQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-3-4-5-6-8(10(14)15)11-7-9(12)13/h2,8,11H,1,3-7H2,(H,12,13)(H,14,15).
What are the key properties of 2-(carboxymethylamino)oct-7-enoic acid?
2-(carboxymethylamino)oct-7-enoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.86, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethylamino)oct-7-enoic acid is sourced from PubChem (CID 131802917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).