bis(4,5-dihydroimidazol-1-yl) (2S)-2-aminopentanedioate

C11H17N5O4 — CID 175512034

IUPACbis(4,5-dihydroimidazol-1-yl) (2S)-2-aminopentanedioate
SMILESN[C@@H](CCC(=O)ON1C=NCC1)C(=O)ON1C=NCC1
InChIInChI=1S/C11H17N5O4/c12-9(11(18)20-16-6-4-14-8-16)1-2-10(17)19-15-5-3-13-7-15/h7-9H,1-6,12H2/t9-/m0/s1
InChIKeyGVOVVYMROZBGLI-VIFPVBQESA-N
MW283.29 g/mol
LogP-1.30
Rot. Bonds6

About bis(4,5-dihydroimidazol-1-yl) (2S)-2-aminopentanedioate

bis(4,5-dihydroimidazol-1-yl) (2S)-2-aminopentanedioate (PubChem CID 175512034) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is bis(4,5-dihydroimidazol-1-yl) (2S)-2-aminopentanedioate.

Molecular Properties

Compound Namebis(4,5-dihydroimidazol-1-yl) (2S)-2-aminopentanedioate
PubChem CID175512034
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Namebis(4,5-dihydroimidazol-1-yl) (2S)-2-aminopentanedioate
SMILESN[C@@H](CCC(=O)ON1C=NCC1)C(=O)ON1C=NCC1
InChIInChI=1S/C11H17N5O4/c12-9(11(18)20-16-6-4-14-8-16)1-2-10(17)19-15-5-3-13-7-15/h7-9H,1-6,12H2/t9-/m0/s1
InChIKeyGVOVVYMROZBGLI-VIFPVBQESA-N
XLogP-1.30
TPSA109.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of bis(4,5-dihydroimidazol-1-yl) (2S)-2-aminopentanedioate?
The IUPAC name of bis(4,5-dihydroimidazol-1-yl) (2S)-2-aminopentanedioate (CID 175512034) is bis(4,5-dihydroimidazol-1-yl) (2S)-2-aminopentanedioate.
What is the SMILES notation for bis(4,5-dihydroimidazol-1-yl) (2S)-2-aminopentanedioate?
The canonical SMILES for bis(4,5-dihydroimidazol-1-yl) (2S)-2-aminopentanedioate is N[C@@H](CCC(=O)ON1C=NCC1)C(=O)ON1C=NCC1.
What is the InChIKey of bis(4,5-dihydroimidazol-1-yl) (2S)-2-aminopentanedioate?
The InChIKey is GVOVVYMROZBGLI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N5O4/c12-9(11(18)20-16-6-4-14-8-16)1-2-10(17)19-15-5-3-13-7-15/h7-9H,1-6,12H2/t9-/m0/s1.
What are the key properties of bis(4,5-dihydroimidazol-1-yl) (2S)-2-aminopentanedioate?
bis(4,5-dihydroimidazol-1-yl) (2S)-2-aminopentanedioate has a molecular weight of 283.29 g/mol, XLogP of -1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,5-dihydroimidazol-1-yl) (2S)-2-aminopentanedioate is sourced from PubChem (CID 175512034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).