2-amino-2-[bis(carboxymethyl)amino]hexanoic acid

C10H18N2O6 — CID 18668446

IUPAC2-amino-2-[bis(carboxymethyl)amino]hexanoic acid
SMILESCCCCC(N)(C(=O)O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H18N2O6/c1-2-3-4-10(11,9(17)18)12(5-7(13)14)6-8(15)16/h2-6,11H2,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyASPKEGSBGWBLOU-UHFFFAOYSA-N
MW262.26 g/mol
LogP-0.61
Rot. Bonds9

About 2-amino-2-[bis(carboxymethyl)amino]hexanoic acid

2-amino-2-[bis(carboxymethyl)amino]hexanoic acid (PubChem CID 18668446) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-amino-2-[bis(carboxymethyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-amino-2-[bis(carboxymethyl)amino]hexanoic acid
PubChem CID18668446
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name2-amino-2-[bis(carboxymethyl)amino]hexanoic acid
SMILESCCCCC(N)(C(=O)O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H18N2O6/c1-2-3-4-10(11,9(17)18)12(5-7(13)14)6-8(15)16/h2-6,11H2,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyASPKEGSBGWBLOU-UHFFFAOYSA-N
XLogP-0.61
TPSA141.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[6-[bis(carboxymethyl)amino]-5,6-dibutyldecan-5-yl]-(carboxymethyl)amino]acetic acid
CID 54571348
2-amino-2-[ethyl(2-hydroxyethyl)amino]heptanoic acid
CID 174821271
2-amino-2-[amino(ethyl)amino]tetradecanoic acid;hydrochloride
CID 87233071
(2R)-2-amino-2-[amino(ethyl)amino]tetradecanoic acid;hydrochloride
CID 87200728
2-amino-2-(dimethylamino)pentanoic acid
CID 87316301
3-amino-3-methylheptanoic acid
CID 53262232
(2R)-2-amino-2-[carboxymethyl(methyl)amino]-5-(diaminomethylideneamino)pentanoic acid
CID 57324197
pentane-1,1,1-tricarboxylic acid
CID 19386814
2-butyl-2-methylhexanoic acid
CID 15930803
2-(dibutylamino)-2-methylhexanoic acid
CID 174674804
(2S)-2,6-diamino-2-(dimethylamino)hexanoic acid
CID 151285535
2-amino-2-octadecylicosanoic acid
CID 18935913

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[bis(carboxymethyl)amino]hexanoic acid?
The IUPAC name of 2-amino-2-[bis(carboxymethyl)amino]hexanoic acid (CID 18668446) is 2-amino-2-[bis(carboxymethyl)amino]hexanoic acid.
What is the SMILES notation for 2-amino-2-[bis(carboxymethyl)amino]hexanoic acid?
The canonical SMILES for 2-amino-2-[bis(carboxymethyl)amino]hexanoic acid is CCCCC(N)(C(=O)O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-amino-2-[bis(carboxymethyl)amino]hexanoic acid?
The InChIKey is ASPKEGSBGWBLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6/c1-2-3-4-10(11,9(17)18)12(5-7(13)14)6-8(15)16/h2-6,11H2,1H3,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 2-amino-2-[bis(carboxymethyl)amino]hexanoic acid?
2-amino-2-[bis(carboxymethyl)amino]hexanoic acid has a molecular weight of 262.26 g/mol, XLogP of -0.61, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[bis(carboxymethyl)amino]hexanoic acid is sourced from PubChem (CID 18668446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).