tris(2-aminoacetic acid);1-phenylpropan-2-amine

C15H28N4O6 — CID 66730614

IUPACtris(2-aminoacetic acid);1-phenylpropan-2-amine
SMILESCC(N)Cc1ccccc1.NCC(=O)O.NCC(=O)O.NCC(=O)O
InChIInChI=1S/C9H13N.3C2H5NO2/c1-8(10)7-9-5-3-2-4-6-9;3*3-1-2(4)5/h2-6,8H,7,10H2,1H3;3*1,3H2,(H,4,5)
InChIKeyIBZLIYVJMFIHMA-UHFFFAOYSA-N
MW360.41 g/mol
LogP-1.33
Rot. Bonds5

About tris(2-aminoacetic acid);1-phenylpropan-2-amine

tris(2-aminoacetic acid);1-phenylpropan-2-amine (PubChem CID 66730614) has the molecular formula C15H28N4O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is tris(2-aminoacetic acid);1-phenylpropan-2-amine.

Molecular Properties

Compound Nametris(2-aminoacetic acid);1-phenylpropan-2-amine
PubChem CID66730614
Molecular FormulaC15H28N4O6
Molecular Weight360.41 g/mol
Exact Mass360.20
IUPAC Nametris(2-aminoacetic acid);1-phenylpropan-2-amine
SMILESCC(N)Cc1ccccc1.NCC(=O)O.NCC(=O)O.NCC(=O)O
InChIInChI=1S/C9H13N.3C2H5NO2/c1-8(10)7-9-5-3-2-4-6-9;3*3-1-2(4)5/h2-6,8H,7,10H2,1H3;3*1,3H2,(H,4,5)
InChIKeyIBZLIYVJMFIHMA-UHFFFAOYSA-N
XLogP-1.33
TPSA215.98 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 5-1.33
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
azane;1-phenylpropan-2-amine
CID 67350534
λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid
CID 173242520
(2R)-1-phenylpropan-2-amine;phosphoric acid
CID 76961595
potassium;1-phenylpropan-2-amine;iodide
CID 70390373
methanesulfonic acid;1-phenylpropan-2-amine
CID 173025540
2-aminoacetic acid;bis(2-amino-3-phenylpropanoic acid)
CID 19809864
2-aminoacetic acid;2-amino-3-phenylpropanoic acid
CID 22149659
2-aminoacetic acid;(2S)-2-amino-3-phenylpropanoic acid
CID 22820957
methanesulfonic acid;(2S)-1-phenylpropan-2-amine
CID 87182702
(2S)-2-amino-3-hydroxypropanoic acid;1-phenylpropan-2-amine
CID 66730568
2-aminoacetic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid
CID 22323802

Frequently Asked Questions

What is the IUPAC name of tris(2-aminoacetic acid);1-phenylpropan-2-amine?
The IUPAC name of tris(2-aminoacetic acid);1-phenylpropan-2-amine (CID 66730614) is tris(2-aminoacetic acid);1-phenylpropan-2-amine.
What is the SMILES notation for tris(2-aminoacetic acid);1-phenylpropan-2-amine?
The canonical SMILES for tris(2-aminoacetic acid);1-phenylpropan-2-amine is CC(N)Cc1ccccc1.NCC(=O)O.NCC(=O)O.NCC(=O)O.
What is the InChIKey of tris(2-aminoacetic acid);1-phenylpropan-2-amine?
The InChIKey is IBZLIYVJMFIHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.3C2H5NO2/c1-8(10)7-9-5-3-2-4-6-9;3*3-1-2(4)5/h2-6,8H,7,10H2,1H3;3*1,3H2,(H,4,5).
What are the key properties of tris(2-aminoacetic acid);1-phenylpropan-2-amine?
tris(2-aminoacetic acid);1-phenylpropan-2-amine has a molecular weight of 360.41 g/mol, XLogP of -1.33, 5 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-aminoacetic acid);1-phenylpropan-2-amine is sourced from PubChem (CID 66730614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).