2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride

C15H18ClMnN3O2+2 — CID 25264863

IUPAC2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride
SMILESCC(C(=O)O)N(Cc1ccccn1)Cc1ccccn1.Cl.[Mn+2]
InChIInChI=1S/C15H17N3O2.ClH.Mn/c1-12(15(19)20)18(10-13-6-2-4-8-16-13)11-14-7-3-5-9-17-14;;/h2-9,12H,10-11H2,1H3,(H,19,20);1H;/q;;+2
InChIKeyLACWKXVPHFNKMA-UHFFFAOYSA-N
MW362.72 g/mol
LogP2.37
Rot. Bonds6

About 2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride

2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride (PubChem CID 25264863) has the molecular formula C15H18ClMnN3O2+2 and a molecular weight of 362.72 g/mol. Its IUPAC name is 2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride.

Molecular Properties

Compound Name2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride
PubChem CID25264863
Molecular FormulaC15H18ClMnN3O2+2
Molecular Weight362.72 g/mol
Exact Mass362.05
IUPAC Name2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride
SMILESCC(C(=O)O)N(Cc1ccccn1)Cc1ccccn1.Cl.[Mn+2]
InChIInChI=1S/C15H17N3O2.ClH.Mn/c1-12(15(19)20)18(10-13-6-2-4-8-16-13)11-14-7-3-5-9-17-14;;/h2-9,12H,10-11H2,1H3,(H,19,20);1H;/q;;+2
InChIKeyLACWKXVPHFNKMA-UHFFFAOYSA-N
XLogP2.37
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.72
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide
CID 102088447
2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82328653
3-[3-oxobutan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82329316
5-[bis(pyridin-2-ylmethyl)amino]hexanoic acid
CID 141092997
2-[bis[2-[(1-carboxy-2,2-dimethylpropyl)-(pyridin-2-ylmethyl)amino]ethyl]amino]-3,3-dimethylbutanoic acid
CID 67876128
2-[ethyl(pyridin-2-ylmethyl)amino]pentanoic acid
CID 83049481
2-methyl-3-[propanoyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82323327
3-methyl-2-[methyl(pyridin-2-ylmethyl)carbamoyl]butanoic acid
CID 115186252
(2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 78967862
2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 114328230
3-methyl-5-oxo-5-[propan-2-yl(pyridin-2-ylmethyl)amino]pentanoic acid
CID 62964578
3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 79396474

Frequently Asked Questions

What is the IUPAC name of 2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride?
The IUPAC name of 2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride (CID 25264863) is 2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride.
What is the SMILES notation for 2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride?
The canonical SMILES for 2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride is CC(C(=O)O)N(Cc1ccccn1)Cc1ccccn1.Cl.[Mn+2].
What is the InChIKey of 2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride?
The InChIKey is LACWKXVPHFNKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2.ClH.Mn/c1-12(15(19)20)18(10-13-6-2-4-8-16-13)11-14-7-3-5-9-17-14;;/h2-9,12H,10-11H2,1H3,(H,19,20);1H;/q;;+2.
What are the key properties of 2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride?
2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride has a molecular weight of 362.72 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride is sourced from PubChem (CID 25264863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).