2-[2-[carboxymethyl(methyl)amino]ethyl]hexanoic acid

C11H21NO4 — CID 142749103

IUPAC2-[2-[carboxymethyl(methyl)amino]ethyl]hexanoic acid
SMILESCCCCC(CCN(C)CC(=O)O)C(=O)O
InChIInChI=1S/C11H21NO4/c1-3-4-5-9(11(15)16)6-7-12(2)8-10(13)14/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyQAWPROWUSYMMMK-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.28
Rot. Bonds9

About 2-[2-[carboxymethyl(methyl)amino]ethyl]hexanoic acid

2-[2-[carboxymethyl(methyl)amino]ethyl]hexanoic acid (PubChem CID 142749103) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-[2-[carboxymethyl(methyl)amino]ethyl]hexanoic acid.

Molecular Properties

Compound Name2-[2-[carboxymethyl(methyl)amino]ethyl]hexanoic acid
PubChem CID142749103
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-[2-[carboxymethyl(methyl)amino]ethyl]hexanoic acid
SMILESCCCCC(CCN(C)CC(=O)O)C(=O)O
InChIInChI=1S/C11H21NO4/c1-3-4-5-9(11(15)16)6-7-12(2)8-10(13)14/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyQAWPROWUSYMMMK-UHFFFAOYSA-N
XLogP1.28
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 87702087
CID 87702087
2-decyl-16-[decyl(methyl)amino]hexadecanoic acid
CID 87389190
azane;2,7-dibutyloctanedioic acid
CID 174821009
2-butylhexanoic acid;N,N-dimethylformamide
CID 19350390
2-[hexyl(methyl)amino]acetic acid
CID 10197909
phosphane;2-propylhexanoic acid
CID 87429538
(2S)-2-butyldecanoic acid
CID 98176194
λ2-stannane;2-propylhexanoic acid
CID 174232814
2-[2-[(2-hydroxy-2-phenylethyl)-methylamino]ethyl]hexanoic acid;dihydrochloride
CID 142749473
2-[3-(dimethylamino)propyl]tetradecanoic acid
CID 174886479
2-dodecyloctacosanoic acid
CID 90897371
2-nonylpentadecanoic acid
CID 139605044

Frequently Asked Questions

What is the IUPAC name of 2-[2-[carboxymethyl(methyl)amino]ethyl]hexanoic acid?
The IUPAC name of 2-[2-[carboxymethyl(methyl)amino]ethyl]hexanoic acid (CID 142749103) is 2-[2-[carboxymethyl(methyl)amino]ethyl]hexanoic acid.
What is the SMILES notation for 2-[2-[carboxymethyl(methyl)amino]ethyl]hexanoic acid?
The canonical SMILES for 2-[2-[carboxymethyl(methyl)amino]ethyl]hexanoic acid is CCCCC(CCN(C)CC(=O)O)C(=O)O.
What is the InChIKey of 2-[2-[carboxymethyl(methyl)amino]ethyl]hexanoic acid?
The InChIKey is QAWPROWUSYMMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-3-4-5-9(11(15)16)6-7-12(2)8-10(13)14/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[2-[carboxymethyl(methyl)amino]ethyl]hexanoic acid?
2-[2-[carboxymethyl(methyl)amino]ethyl]hexanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.28, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[carboxymethyl(methyl)amino]ethyl]hexanoic acid is sourced from PubChem (CID 142749103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).