8-(carboxymethylamino)-8-oxooctanoic acid

C10H17NO5 — CID 6453952

IUPAC8-(carboxymethylamino)-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)NCC(=O)O
InChIInChI=1S/C10H17NO5/c12-8(11-7-10(15)16)5-3-1-2-4-6-9(13)14/h1-7H2,(H,11,12)(H,13,14)(H,15,16)
InChIKeyHXATVKDSYDWTCX-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.61
Rot. Bonds9

About 8-(carboxymethylamino)-8-oxooctanoic acid

8-(carboxymethylamino)-8-oxooctanoic acid (PubChem CID 6453952) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 8-(carboxymethylamino)-8-oxooctanoic acid.

Molecular Properties

Compound Name8-(carboxymethylamino)-8-oxooctanoic acid
PubChem CID6453952
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name8-(carboxymethylamino)-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)NCC(=O)O
InChIInChI=1S/C10H17NO5/c12-8(11-7-10(15)16)5-3-1-2-4-6-9(13)14/h1-7H2,(H,11,12)(H,13,14)(H,15,16)
InChIKeyHXATVKDSYDWTCX-UHFFFAOYSA-N
XLogP0.61
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(carboxymethylamino)-8-oxooctanoic acid?
The IUPAC name of 8-(carboxymethylamino)-8-oxooctanoic acid (CID 6453952) is 8-(carboxymethylamino)-8-oxooctanoic acid.
What is the SMILES notation for 8-(carboxymethylamino)-8-oxooctanoic acid?
The canonical SMILES for 8-(carboxymethylamino)-8-oxooctanoic acid is O=C(O)CCCCCCC(=O)NCC(=O)O.
What is the InChIKey of 8-(carboxymethylamino)-8-oxooctanoic acid?
The InChIKey is HXATVKDSYDWTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c12-8(11-7-10(15)16)5-3-1-2-4-6-9(13)14/h1-7H2,(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 8-(carboxymethylamino)-8-oxooctanoic acid?
8-(carboxymethylamino)-8-oxooctanoic acid has a molecular weight of 231.25 g/mol, XLogP of 0.61, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(carboxymethylamino)-8-oxooctanoic acid is sourced from PubChem (CID 6453952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).