6-amino-6-[bis(carboxymethyl)amino]hexanoic acid

C10H18N2O6 — CID 87997532

IUPAC6-amino-6-[bis(carboxymethyl)amino]hexanoic acid
SMILESNC(CCCCC(=O)O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H18N2O6/c11-7(3-1-2-4-8(13)14)12(5-9(15)16)6-10(17)18/h7H,1-6,11H2,(H,13,14)(H,15,16)(H,17,18)
InChIKeyBIMKXICYHBJKRM-UHFFFAOYSA-N
MW262.26 g/mol
LogP-0.61
Rot. Bonds10

About 6-amino-6-[bis(carboxymethyl)amino]hexanoic acid

6-amino-6-[bis(carboxymethyl)amino]hexanoic acid (PubChem CID 87997532) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is 6-amino-6-[bis(carboxymethyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-amino-6-[bis(carboxymethyl)amino]hexanoic acid
PubChem CID87997532
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name6-amino-6-[bis(carboxymethyl)amino]hexanoic acid
SMILESNC(CCCCC(=O)O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H18N2O6/c11-7(3-1-2-4-8(13)14)12(5-9(15)16)6-10(17)18/h7H,1-6,11H2,(H,13,14)(H,15,16)(H,17,18)
InChIKeyBIMKXICYHBJKRM-UHFFFAOYSA-N
XLogP-0.61
TPSA141.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6,12-diaminoheptadecanedioic acid
CID 23455605
5-aminododecanedioic acid
CID 3835680
(6S)-6-aminoheptanoic acid
CID 54134193
14-aminopentadecanoic acid
CID 87306551
3-aminodocosanedioic acid
CID 57269564
10-aminoundecanoic acid
CID 3771397
ethane-1,1,2-triamine;hexanedioic acid
CID 19698869
9-aminopentadecanoic acid
CID 87304604
7-aminoundecanoic acid
CID 87457372
11-aminotetradecanoic acid
CID 87305919
6,7-diaminononanoic acid
CID 22628832
6-amino-7-aminooxy-7-oxoheptanoic acid
CID 87229165

Frequently Asked Questions

What is the IUPAC name of 6-amino-6-[bis(carboxymethyl)amino]hexanoic acid?
The IUPAC name of 6-amino-6-[bis(carboxymethyl)amino]hexanoic acid (CID 87997532) is 6-amino-6-[bis(carboxymethyl)amino]hexanoic acid.
What is the SMILES notation for 6-amino-6-[bis(carboxymethyl)amino]hexanoic acid?
The canonical SMILES for 6-amino-6-[bis(carboxymethyl)amino]hexanoic acid is NC(CCCCC(=O)O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 6-amino-6-[bis(carboxymethyl)amino]hexanoic acid?
The InChIKey is BIMKXICYHBJKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6/c11-7(3-1-2-4-8(13)14)12(5-9(15)16)6-10(17)18/h7H,1-6,11H2,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 6-amino-6-[bis(carboxymethyl)amino]hexanoic acid?
6-amino-6-[bis(carboxymethyl)amino]hexanoic acid has a molecular weight of 262.26 g/mol, XLogP of -0.61, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6-[bis(carboxymethyl)amino]hexanoic acid is sourced from PubChem (CID 87997532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).