bis(2-amino-4-methylpentanoic acid);bis(2,5-diaminopentanoic acid)

C22H50N6O8 — CID 173251323

IUPACbis(2-amino-4-methylpentanoic acid);bis(2,5-diaminopentanoic acid)
SMILESCC(C)CC(N)C(=O)O.CC(C)CC(N)C(=O)O.NCCCC(N)C(=O)O.NCCCC(N)C(=O)O
InChIInChI=1S/2C6H13NO2.2C5H12N2O2/c2*1-4(2)3-5(7)6(8)9;2*6-3-1-2-4(7)5(8)9/h2*4-5H,3,7H2,1-2H3,(H,8,9);2*4H,1-3,6-7H2,(H,8,9)
InChIKeyLTDUDLDFYBTEIJ-UHFFFAOYSA-N
MW526.68 g/mol
LogP-0.84
Rot. Bonds14

About bis(2-amino-4-methylpentanoic acid);bis(2,5-diaminopentanoic acid)

bis(2-amino-4-methylpentanoic acid);bis(2,5-diaminopentanoic acid) (PubChem CID 173251323) has the molecular formula C22H50N6O8 and a molecular weight of 526.68 g/mol. Its IUPAC name is bis(2-amino-4-methylpentanoic acid);bis(2,5-diaminopentanoic acid).

Molecular Properties

Compound Namebis(2-amino-4-methylpentanoic acid);bis(2,5-diaminopentanoic acid)
PubChem CID173251323
Molecular FormulaC22H50N6O8
Molecular Weight526.68 g/mol
Exact Mass526.37
IUPAC Namebis(2-amino-4-methylpentanoic acid);bis(2,5-diaminopentanoic acid)
SMILESCC(C)CC(N)C(=O)O.CC(C)CC(N)C(=O)O.NCCCC(N)C(=O)O.NCCCC(N)C(=O)O
InChIInChI=1S/2C6H13NO2.2C5H12N2O2/c2*1-4(2)3-5(7)6(8)9;2*6-3-1-2-4(7)5(8)9/h2*4-5H,3,7H2,1-2H3,(H,8,9);2*4H,1-3,6-7H2,(H,8,9)
InChIKeyLTDUDLDFYBTEIJ-UHFFFAOYSA-N
XLogP-0.84
TPSA305.32 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.68
LogP ≤ 5-0.84
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

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Related Compounds

(2S)-2,5-diaminopentanoic acid;methanol
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bis(2,5-diaminopentanoic acid);trihydrochloride
CID 175233947
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CID 175036694
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CID 71309151
bis((2R)-2,5-diaminopentanoic acid);formaldehyde
CID 174922370
carbamic acid;2,5-diaminopentanoic acid
CID 22153959
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
2-amino-4-methylpentanoic acid;chromium
CID 88640601
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944

Frequently Asked Questions

What is the IUPAC name of bis(2-amino-4-methylpentanoic acid);bis(2,5-diaminopentanoic acid)?
The IUPAC name of bis(2-amino-4-methylpentanoic acid);bis(2,5-diaminopentanoic acid) (CID 173251323) is bis(2-amino-4-methylpentanoic acid);bis(2,5-diaminopentanoic acid).
What is the SMILES notation for bis(2-amino-4-methylpentanoic acid);bis(2,5-diaminopentanoic acid)?
The canonical SMILES for bis(2-amino-4-methylpentanoic acid);bis(2,5-diaminopentanoic acid) is CC(C)CC(N)C(=O)O.CC(C)CC(N)C(=O)O.NCCCC(N)C(=O)O.NCCCC(N)C(=O)O.
What is the InChIKey of bis(2-amino-4-methylpentanoic acid);bis(2,5-diaminopentanoic acid)?
The InChIKey is LTDUDLDFYBTEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13NO2.2C5H12N2O2/c2*1-4(2)3-5(7)6(8)9;2*6-3-1-2-4(7)5(8)9/h2*4-5H,3,7H2,1-2H3,(H,8,9);2*4H,1-3,6-7H2,(H,8,9).
What are the key properties of bis(2-amino-4-methylpentanoic acid);bis(2,5-diaminopentanoic acid)?
bis(2-amino-4-methylpentanoic acid);bis(2,5-diaminopentanoic acid) has a molecular weight of 526.68 g/mol, XLogP of -0.84, 14 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-amino-4-methylpentanoic acid);bis(2,5-diaminopentanoic acid) is sourced from PubChem (CID 173251323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).