2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid

C11H18N2O6 — CID 15168777

IUPAC2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CCCCCC(=O)NCC(=O)O
InChIInChI=1S/C11H18N2O6/c14-8(12-6-10(16)17)4-2-1-3-5-9(15)13-7-11(18)19/h1-7H2,(H,12,14)(H,13,15)(H,16,17)(H,18,19)
InChIKeySTYJBHBBSARMBR-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.66
Rot. Bonds10

About 2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid

2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid (PubChem CID 15168777) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid
PubChem CID15168777
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CCCCCC(=O)NCC(=O)O
InChIInChI=1S/C11H18N2O6/c14-8(12-6-10(16)17)4-2-1-3-5-9(15)13-7-11(18)19/h1-7H2,(H,12,14)(H,13,15)(H,16,17)(H,18,19)
InChIKeySTYJBHBBSARMBR-UHFFFAOYSA-N
XLogP-0.66
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(7-aminoheptanoylamino)acetic acid
CID 18934956
2-[[12-(methylamino)-12-oxododecanoyl]amino]acetic acid
CID 163272447
2-(6-bromohexanoylamino)acetic acid
CID 18934957
sodium;2-(hexadecanoylamino)acetic acid;hydride
CID 173207705
potassium;hydride;2-(octadecanoylamino)acetic acid
CID 174739574
2-[[2-[[7-[[2-(carboxyamino)-2-oxoethyl]amino]-7-oxoheptanoyl]amino]acetyl]amino]acetic acid
CID 101240963
2-(7-methyloctanoylamino)acetic acid
CID 21289225
2-(10-deuteriodecanoylamino)acetic acid
CID 170555179
2-[4-(octanoylamino)butanoylamino]acetic acid
CID 170428184
2-[[(Z)-octadec-9-enoyl]amino]acetic acid
CID 6436908
2-[[(Z)-octadec-11-enoyl]amino]acetic acid
CID 135240006
2-[[2-(pentanoylamino)acetyl]amino]acetic acid
CID 43387772

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid?
The IUPAC name of 2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid (CID 15168777) is 2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid?
The canonical SMILES for 2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid is O=C(O)CNC(=O)CCCCCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid?
The InChIKey is STYJBHBBSARMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c14-8(12-6-10(16)17)4-2-1-3-5-9(15)13-7-11(18)19/h1-7H2,(H,12,14)(H,13,15)(H,16,17)(H,18,19).
What are the key properties of 2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid?
2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid has a molecular weight of 274.27 g/mol, XLogP of -0.66, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid is sourced from PubChem (CID 15168777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).