2-[[8-(carboxymethylamino)-2,5,7-trimethyl-8-oxooctanoyl]amino]acetic acid

C15H26N2O6 — CID 90365415

IUPAC2-[[8-(carboxymethylamino)-2,5,7-trimethyl-8-oxooctanoyl]amino]acetic acid
SMILESCC(CCC(C)C(=O)NCC(=O)O)CC(C)C(=O)NCC(=O)O
InChIInChI=1S/C15H26N2O6/c1-9(6-11(3)15(23)17-8-13(20)21)4-5-10(2)14(22)16-7-12(18)19/h9-11H,4-8H2,1-3H3,(H,16,22)(H,17,23)(H,18,19)(H,20,21)
InChIKeyAWNMUGSOMXATFQ-UHFFFAOYSA-N
MW330.38 g/mol
LogP0.47
Rot. Bonds11

About 2-[[8-(carboxymethylamino)-2,5,7-trimethyl-8-oxooctanoyl]amino]acetic acid

2-[[8-(carboxymethylamino)-2,5,7-trimethyl-8-oxooctanoyl]amino]acetic acid (PubChem CID 90365415) has the molecular formula C15H26N2O6 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[[8-(carboxymethylamino)-2,5,7-trimethyl-8-oxooctanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[8-(carboxymethylamino)-2,5,7-trimethyl-8-oxooctanoyl]amino]acetic acid
PubChem CID90365415
Molecular FormulaC15H26N2O6
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Name2-[[8-(carboxymethylamino)-2,5,7-trimethyl-8-oxooctanoyl]amino]acetic acid
SMILESCC(CCC(C)C(=O)NCC(=O)O)CC(C)C(=O)NCC(=O)O
InChIInChI=1S/C15H26N2O6/c1-9(6-11(3)15(23)17-8-13(20)21)4-5-10(2)14(22)16-7-12(18)19/h9-11H,4-8H2,1-3H3,(H,16,22)(H,17,23)(H,18,19)(H,20,21)
InChIKeyAWNMUGSOMXATFQ-UHFFFAOYSA-N
XLogP0.47
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[8-(carboxymethylamino)-2,5,7-trimethyl-8-oxooctanoyl]amino]acetic acid?
The IUPAC name of 2-[[8-(carboxymethylamino)-2,5,7-trimethyl-8-oxooctanoyl]amino]acetic acid (CID 90365415) is 2-[[8-(carboxymethylamino)-2,5,7-trimethyl-8-oxooctanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[8-(carboxymethylamino)-2,5,7-trimethyl-8-oxooctanoyl]amino]acetic acid?
The canonical SMILES for 2-[[8-(carboxymethylamino)-2,5,7-trimethyl-8-oxooctanoyl]amino]acetic acid is CC(CCC(C)C(=O)NCC(=O)O)CC(C)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[8-(carboxymethylamino)-2,5,7-trimethyl-8-oxooctanoyl]amino]acetic acid?
The InChIKey is AWNMUGSOMXATFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O6/c1-9(6-11(3)15(23)17-8-13(20)21)4-5-10(2)14(22)16-7-12(18)19/h9-11H,4-8H2,1-3H3,(H,16,22)(H,17,23)(H,18,19)(H,20,21).
What are the key properties of 2-[[8-(carboxymethylamino)-2,5,7-trimethyl-8-oxooctanoyl]amino]acetic acid?
2-[[8-(carboxymethylamino)-2,5,7-trimethyl-8-oxooctanoyl]amino]acetic acid has a molecular weight of 330.38 g/mol, XLogP of 0.47, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(carboxymethylamino)-2,5,7-trimethyl-8-oxooctanoyl]amino]acetic acid is sourced from PubChem (CID 90365415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).