(2R)-2-amino-4-[bis[(2-pyridin-2-yloxyphenyl)methyl]amino]butanoic acid

C28H28N4O4 — CID 155922197

IUPAC(2R)-2-amino-4-[bis[(2-pyridin-2-yloxyphenyl)methyl]amino]butanoic acid
SMILESN[C@H](CCN(Cc1ccccc1Oc1ccccn1)Cc1ccccc1Oc1ccccn1)C(=O)O
InChIInChI=1S/C28H28N4O4/c29-23(28(33)34)15-18-32(19-21-9-1-3-11-24(21)35-26-13-5-7-16-30-26)20-22-10-2-4-12-25(22)36-27-14-6-8-17-31-27/h1-14,16-17,23H,15,18-20,29H2,(H,33,34)/t23-/m1/s1
InChIKeyOGKRGHHJBKQKQZ-HSZRJFAPSA-N
MW484.56 g/mol
LogP4.87
Rot. Bonds12

About (2R)-2-amino-4-[bis[(2-pyridin-2-yloxyphenyl)methyl]amino]butanoic acid

(2R)-2-amino-4-[bis[(2-pyridin-2-yloxyphenyl)methyl]amino]butanoic acid (PubChem CID 155922197) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is (2R)-2-amino-4-[bis[(2-pyridin-2-yloxyphenyl)methyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-[bis[(2-pyridin-2-yloxyphenyl)methyl]amino]butanoic acid
PubChem CID155922197
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC Name(2R)-2-amino-4-[bis[(2-pyridin-2-yloxyphenyl)methyl]amino]butanoic acid
SMILESN[C@H](CCN(Cc1ccccc1Oc1ccccn1)Cc1ccccc1Oc1ccccn1)C(=O)O
InChIInChI=1S/C28H28N4O4/c29-23(28(33)34)15-18-32(19-21-9-1-3-11-24(21)35-26-13-5-7-16-30-26)20-22-10-2-4-12-25(22)36-27-14-6-8-17-31-27/h1-14,16-17,23H,15,18-20,29H2,(H,33,34)/t23-/m1/s1
InChIKeyOGKRGHHJBKQKQZ-HSZRJFAPSA-N
XLogP4.87
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-amino-4-[bis[[2-(4-chlorophenoxy)phenyl]methyl]amino]butanoic acid
CID 127035812
2-amino-4-[bis(pyridin-2-ylmethyl)amino]butanoic acid
CID 170716889
(2R)-2-amino-4-[bis[[2-(pyridin-3-ylmethoxy)phenyl]methyl]amino]butanoic acid
CID 155922207
(2S)-2-amino-4-[bis[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]amino]butanoic acid
CID 127036014
(2S)-2-amino-4-[[2-[(3-methylphenyl)methoxy]phenyl]methyl-(pyridin-4-ylmethyl)amino]butanoic acid
CID 170716882
2-amino-4-[[2-(4-chlorophenoxy)phenyl]methyl-[[2-[(3-methoxyphenyl)methoxy]phenyl]methyl]amino]butanoic acid
CID 155391074
(2S)-2-amino-4-[[2-chloro-6-[(3-methylphenyl)methoxy]phenyl]methyl-[[2-[(3-methylphenyl)methoxy]phenyl]methyl]amino]butanoic acid
CID 146476522
(2S)-2-amino-4-[[5-(difluoromethyl)-2-[(3-methylphenyl)methoxy]phenyl]methyl-[[2-[(3-methylphenyl)methoxy]phenyl]methyl]amino]butanoic acid
CID 153465628
(2S)-2-amino-4-[[6-[(3-methylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]methyl-[[2-[(3-methylphenyl)methoxy]phenyl]methyl]amino]butanoic acid
CID 146476630
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid
CID 55144478
2-amino-4-[(2-methoxyphenyl)methyl-(methylsulfamoyl)amino]butanoic acid
CID 70945897
2-amino-6-[carboxymethyl(pyridin-2-ylmethyl)amino]hexanoic acid
CID 59550352

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-[bis[(2-pyridin-2-yloxyphenyl)methyl]amino]butanoic acid?
The IUPAC name of (2R)-2-amino-4-[bis[(2-pyridin-2-yloxyphenyl)methyl]amino]butanoic acid (CID 155922197) is (2R)-2-amino-4-[bis[(2-pyridin-2-yloxyphenyl)methyl]amino]butanoic acid.
What is the SMILES notation for (2R)-2-amino-4-[bis[(2-pyridin-2-yloxyphenyl)methyl]amino]butanoic acid?
The canonical SMILES for (2R)-2-amino-4-[bis[(2-pyridin-2-yloxyphenyl)methyl]amino]butanoic acid is N[C@H](CCN(Cc1ccccc1Oc1ccccn1)Cc1ccccc1Oc1ccccn1)C(=O)O.
What is the InChIKey of (2R)-2-amino-4-[bis[(2-pyridin-2-yloxyphenyl)methyl]amino]butanoic acid?
The InChIKey is OGKRGHHJBKQKQZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H28N4O4/c29-23(28(33)34)15-18-32(19-21-9-1-3-11-24(21)35-26-13-5-7-16-30-26)20-22-10-2-4-12-25(22)36-27-14-6-8-17-31-27/h1-14,16-17,23H,15,18-20,29H2,(H,33,34)/t23-/m1/s1.
What are the key properties of (2R)-2-amino-4-[bis[(2-pyridin-2-yloxyphenyl)methyl]amino]butanoic acid?
(2R)-2-amino-4-[bis[(2-pyridin-2-yloxyphenyl)methyl]amino]butanoic acid has a molecular weight of 484.56 g/mol, XLogP of 4.87, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-[bis[(2-pyridin-2-yloxyphenyl)methyl]amino]butanoic acid is sourced from PubChem (CID 155922197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).