2-amino-6-[carboxymethyl(pyridin-2-ylmethyl)amino]hexanoic acid

C14H21N3O4 — CID 59550352

IUPAC2-amino-6-[carboxymethyl(pyridin-2-ylmethyl)amino]hexanoic acid
SMILESNC(CCCCN(CC(=O)O)Cc1ccccn1)C(=O)O
InChIInChI=1S/C14H21N3O4/c15-12(14(20)21)6-2-4-8-17(10-13(18)19)9-11-5-1-3-7-16-11/h1,3,5,7,12H,2,4,6,8-10,15H2,(H,18,19)(H,20,21)
InChIKeyRUVXZDASJUQZIF-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.55
Rot. Bonds10

About 2-amino-6-[carboxymethyl(pyridin-2-ylmethyl)amino]hexanoic acid

2-amino-6-[carboxymethyl(pyridin-2-ylmethyl)amino]hexanoic acid (PubChem CID 59550352) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-amino-6-[carboxymethyl(pyridin-2-ylmethyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-amino-6-[carboxymethyl(pyridin-2-ylmethyl)amino]hexanoic acid
PubChem CID59550352
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-amino-6-[carboxymethyl(pyridin-2-ylmethyl)amino]hexanoic acid
SMILESNC(CCCCN(CC(=O)O)Cc1ccccn1)C(=O)O
InChIInChI=1S/C14H21N3O4/c15-12(14(20)21)6-2-4-8-17(10-13(18)19)9-11-5-1-3-7-16-11/h1,3,5,7,12H,2,4,6,8-10,15H2,(H,18,19)(H,20,21)
InChIKeyRUVXZDASJUQZIF-UHFFFAOYSA-N
XLogP0.55
TPSA116.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-[bis(pyridin-2-ylmethyl)amino]butanoic acid
CID 170716889
15-[carboxymethyl(pyridin-2-ylmethyl)amino]pentadecanoic acid
CID 90804342
acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid
CID 162118901
8-[bis(pyridin-2-ylmethyl)amino]octanoic acid
CID 67061848
azanylidyneoxidanium;carbon monoxide;2-[carboxymethyl(pyridin-2-ylmethyl)amino]acetic acid;rhenium
CID 10344552
2-aminopentanedioic acid;2-ethylpyridine
CID 174937923
2-amino-6-[bis(1H-imidazol-2-ylmethyl)amino]hexanoic acid
CID 102225246
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid
CID 55144478
2-[bis[2-[carboxymethyl-[2-[2-[carboxymethyl(pyridin-2-ylmethyl)amino]ethylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 101405847
2-[3-[bis(pyridin-2-ylmethyl)amino]propoxy]acetic acid
CID 101459519
6-[[8-[5-[carboxymethyl(pyridin-2-ylmethyl)amino]pentylamino]-8-oxooctanoyl]amino]-2-[(4-carboxy-1-oxobutan-2-yl)carbamoylamino]hexanoic acid
CID 88967698
(2S)-6-[bis(pyridin-2-ylmethyl)amino]-2-[[(1S)-1-carboxy-4-oxo-4-sulfanylbutyl]carbamoylamino]hexanoic acid
CID 135128759

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[carboxymethyl(pyridin-2-ylmethyl)amino]hexanoic acid?
The IUPAC name of 2-amino-6-[carboxymethyl(pyridin-2-ylmethyl)amino]hexanoic acid (CID 59550352) is 2-amino-6-[carboxymethyl(pyridin-2-ylmethyl)amino]hexanoic acid.
What is the SMILES notation for 2-amino-6-[carboxymethyl(pyridin-2-ylmethyl)amino]hexanoic acid?
The canonical SMILES for 2-amino-6-[carboxymethyl(pyridin-2-ylmethyl)amino]hexanoic acid is NC(CCCCN(CC(=O)O)Cc1ccccn1)C(=O)O.
What is the InChIKey of 2-amino-6-[carboxymethyl(pyridin-2-ylmethyl)amino]hexanoic acid?
The InChIKey is RUVXZDASJUQZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c15-12(14(20)21)6-2-4-8-17(10-13(18)19)9-11-5-1-3-7-16-11/h1,3,5,7,12H,2,4,6,8-10,15H2,(H,18,19)(H,20,21).
What are the key properties of 2-amino-6-[carboxymethyl(pyridin-2-ylmethyl)amino]hexanoic acid?
2-amino-6-[carboxymethyl(pyridin-2-ylmethyl)amino]hexanoic acid has a molecular weight of 295.34 g/mol, XLogP of 0.55, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[carboxymethyl(pyridin-2-ylmethyl)amino]hexanoic acid is sourced from PubChem (CID 59550352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).