2-(carboxymethylamino)hexanoic acid

C8H15NO4 — CID 87772907

IUPAC2-(carboxymethylamino)hexanoic acid
SMILESCCCCC(NCC(=O)O)C(=O)O
InChIInChI=1S/C8H15NO4/c1-2-3-4-6(8(12)13)9-5-7(10)11/h6,9H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyMBBNCIKYWHIZGN-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.30
Rot. Bonds7

About 2-(carboxymethylamino)hexanoic acid

2-(carboxymethylamino)hexanoic acid (PubChem CID 87772907) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-(carboxymethylamino)hexanoic acid.

Molecular Properties

Compound Name2-(carboxymethylamino)hexanoic acid
PubChem CID87772907
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-(carboxymethylamino)hexanoic acid
SMILESCCCCC(NCC(=O)O)C(=O)O
InChIInChI=1S/C8H15NO4/c1-2-3-4-6(8(12)13)9-5-7(10)11/h6,9H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyMBBNCIKYWHIZGN-UHFFFAOYSA-N
XLogP0.30
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethylamino)hexanoic acid?
The IUPAC name of 2-(carboxymethylamino)hexanoic acid (CID 87772907) is 2-(carboxymethylamino)hexanoic acid.
What is the SMILES notation for 2-(carboxymethylamino)hexanoic acid?
The canonical SMILES for 2-(carboxymethylamino)hexanoic acid is CCCCC(NCC(=O)O)C(=O)O.
What is the InChIKey of 2-(carboxymethylamino)hexanoic acid?
The InChIKey is MBBNCIKYWHIZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-2-3-4-6(8(12)13)9-5-7(10)11/h6,9H,2-5H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-(carboxymethylamino)hexanoic acid?
2-(carboxymethylamino)hexanoic acid has a molecular weight of 189.21 g/mol, XLogP of 0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethylamino)hexanoic acid is sourced from PubChem (CID 87772907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).