6-amino-2-(carboxymethylamino)hexanoic acid

C8H16N2O4 — CID 11680034

IUPAC6-amino-2-(carboxymethylamino)hexanoic acid
SMILESNCCCCC(NCC(=O)O)C(=O)O
InChIInChI=1S/C8H16N2O4/c9-4-2-1-3-6(8(13)14)10-5-7(11)12/h6,10H,1-5,9H2,(H,11,12)(H,13,14)
InChIKeyOQVOZFPJUCUPLW-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.76
Rot. Bonds8

About 6-amino-2-(carboxymethylamino)hexanoic acid

6-amino-2-(carboxymethylamino)hexanoic acid (PubChem CID 11680034) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 6-amino-2-(carboxymethylamino)hexanoic acid.

Molecular Properties

Compound Name6-amino-2-(carboxymethylamino)hexanoic acid
PubChem CID11680034
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name6-amino-2-(carboxymethylamino)hexanoic acid
SMILESNCCCCC(NCC(=O)O)C(=O)O
InChIInChI=1S/C8H16N2O4/c9-4-2-1-3-6(8(13)14)10-5-7(11)12/h6,10H,1-5,9H2,(H,11,12)(H,13,14)
InChIKeyOQVOZFPJUCUPLW-UHFFFAOYSA-N
XLogP-0.76
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-5-amino-2-(carboxymethylamino)pentanoic acid
CID 22810355
6-amino-2-(hydroxymethylamino)hexanoic acid
CID 18519143
(2S)-6-amino-2-(carboxymethylamino)-4-deuteriohexanoic acid
CID 141336404
6-amino-2-(ethylamino)hexanoic acid;dihydrochloride
CID 175594704
(2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid
CID 164521049
(2S)-6-amino-2-(phosphonomethylamino)hexanoic acid
CID 25153976
acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid
CID 162326558
(2S)-6-amino-2-(3,3-dihydroxypropylamino)hexanoic acid
CID 87855201
(2R)-6-amino-2-(hydroxyamino)hexanoic acid
CID 87193141
2-(6-aminohexylamino)decanedioic acid
CID 140815288
6-amino-2-(prop-2-enylamino)hexanoic acid
CID 87168024
5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride
CID 174056033

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(carboxymethylamino)hexanoic acid?
The IUPAC name of 6-amino-2-(carboxymethylamino)hexanoic acid (CID 11680034) is 6-amino-2-(carboxymethylamino)hexanoic acid.
What is the SMILES notation for 6-amino-2-(carboxymethylamino)hexanoic acid?
The canonical SMILES for 6-amino-2-(carboxymethylamino)hexanoic acid is NCCCCC(NCC(=O)O)C(=O)O.
What is the InChIKey of 6-amino-2-(carboxymethylamino)hexanoic acid?
The InChIKey is OQVOZFPJUCUPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c9-4-2-1-3-6(8(13)14)10-5-7(11)12/h6,10H,1-5,9H2,(H,11,12)(H,13,14).
What are the key properties of 6-amino-2-(carboxymethylamino)hexanoic acid?
6-amino-2-(carboxymethylamino)hexanoic acid has a molecular weight of 204.23 g/mol, XLogP of -0.76, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(carboxymethylamino)hexanoic acid is sourced from PubChem (CID 11680034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).