2-amino-4-[bis(pyridin-2-ylmethyl)amino]butanoic acid

C16H20N4O2 — CID 170716889

IUPAC2-amino-4-[bis(pyridin-2-ylmethyl)amino]butanoic acid
SMILESNC(CCN(Cc1ccccn1)Cc1ccccn1)C(=O)O
InChIInChI=1S/C16H20N4O2/c17-15(16(21)22)7-10-20(11-13-5-1-3-8-18-13)12-14-6-2-4-9-19-14/h1-6,8-9,15H,7,10-12,17H2,(H,21,22)
InChIKeyXGOLEJWPPDQICZ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.28
Rot. Bonds8

About 2-amino-4-[bis(pyridin-2-ylmethyl)amino]butanoic acid

2-amino-4-[bis(pyridin-2-ylmethyl)amino]butanoic acid (PubChem CID 170716889) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-amino-4-[bis(pyridin-2-ylmethyl)amino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[bis(pyridin-2-ylmethyl)amino]butanoic acid
PubChem CID170716889
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-amino-4-[bis(pyridin-2-ylmethyl)amino]butanoic acid
SMILESNC(CCN(Cc1ccccn1)Cc1ccccn1)C(=O)O
InChIInChI=1S/C16H20N4O2/c17-15(16(21)22)7-10-20(11-13-5-1-3-8-18-13)12-14-6-2-4-9-19-14/h1-6,8-9,15H,7,10-12,17H2,(H,21,22)
InChIKeyXGOLEJWPPDQICZ-UHFFFAOYSA-N
XLogP1.28
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 59550352
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CID 55144478
(2R)-2-amino-4-[bis[(2-pyridin-2-yloxyphenyl)methyl]amino]butanoic acid
CID 155922197
(2S)-2-amino-5-oxo-6-pyridin-2-ylhexanoic acid
CID 161352195
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
2-aminopentanedioic acid;2-ethylpyridine
CID 174937923
8-[bis(pyridin-2-ylmethyl)amino]octanoic acid
CID 67061848
osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 171575278
2-[3-[bis(pyridin-2-ylmethyl)amino]propoxy]acetic acid
CID 101459519
(2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid
CID 69303223
1-hydroxy-1-(pyridin-2-ylmethyl)urea
CID 10374807
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[bis(pyridin-2-ylmethyl)amino]butanoic acid?
The IUPAC name of 2-amino-4-[bis(pyridin-2-ylmethyl)amino]butanoic acid (CID 170716889) is 2-amino-4-[bis(pyridin-2-ylmethyl)amino]butanoic acid.
What is the SMILES notation for 2-amino-4-[bis(pyridin-2-ylmethyl)amino]butanoic acid?
The canonical SMILES for 2-amino-4-[bis(pyridin-2-ylmethyl)amino]butanoic acid is NC(CCN(Cc1ccccn1)Cc1ccccn1)C(=O)O.
What is the InChIKey of 2-amino-4-[bis(pyridin-2-ylmethyl)amino]butanoic acid?
The InChIKey is XGOLEJWPPDQICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-15(16(21)22)7-10-20(11-13-5-1-3-8-18-13)12-14-6-2-4-9-19-14/h1-6,8-9,15H,7,10-12,17H2,(H,21,22).
What are the key properties of 2-amino-4-[bis(pyridin-2-ylmethyl)amino]butanoic acid?
2-amino-4-[bis(pyridin-2-ylmethyl)amino]butanoic acid has a molecular weight of 300.36 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[bis(pyridin-2-ylmethyl)amino]butanoic acid is sourced from PubChem (CID 170716889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).