2-amino-4-methylpentanoic acid;2,5-diamino-5-oxopentanoic acid

C11H23N3O5 — CID 22633836

IUPAC2-amino-4-methylpentanoic acid;2,5-diamino-5-oxopentanoic acid
SMILESCC(C)CC(N)C(=O)O.NC(=O)CCC(N)C(=O)O
InChIInChI=1S/C6H13NO2.C5H10N2O3/c1-4(2)3-5(7)6(8)9;6-3(5(9)10)1-2-4(7)8/h4-5H,3,7H2,1-2H3,(H,8,9);3H,1-2,6H2,(H2,7,8)(H,9,10)
InChIKeyBQLGEMBOYMFQRA-UHFFFAOYSA-N
MW277.32 g/mol
LogP-0.89
Rot. Bonds7

About 2-amino-4-methylpentanoic acid;2,5-diamino-5-oxopentanoic acid

2-amino-4-methylpentanoic acid;2,5-diamino-5-oxopentanoic acid (PubChem CID 22633836) has the molecular formula C11H23N3O5 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-amino-4-methylpentanoic acid;2,5-diamino-5-oxopentanoic acid.

Molecular Properties

Compound Name2-amino-4-methylpentanoic acid;2,5-diamino-5-oxopentanoic acid
PubChem CID22633836
Molecular FormulaC11H23N3O5
Molecular Weight277.32 g/mol
Exact Mass277.16
IUPAC Name2-amino-4-methylpentanoic acid;2,5-diamino-5-oxopentanoic acid
SMILESCC(C)CC(N)C(=O)O.NC(=O)CCC(N)C(=O)O
InChIInChI=1S/C6H13NO2.C5H10N2O3/c1-4(2)3-5(7)6(8)9;6-3(5(9)10)1-2-4(7)8/h4-5H,3,7H2,1-2H3,(H,8,9);3H,1-2,6H2,(H2,7,8)(H,9,10)
InChIKeyBQLGEMBOYMFQRA-UHFFFAOYSA-N
XLogP-0.89
TPSA169.73 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
aluminum 2,5-diamino-5-oxopentanoic acid
CID 20532187
2,5-diamino-5-oxopentanoic acid;dihydrochloride
CID 174895279
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770
(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
(2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-4-methylpentanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 87663498
(2S)-2,5-diamino-5-oxopentanoic acid;sulfanol
CID 174328641
2,5-diamino-5-oxopentanoic acid;oxalic acid
CID 22114581
2-amino-4-methylpentanoic acid;chromium
CID 88640601

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylpentanoic acid;2,5-diamino-5-oxopentanoic acid?
The IUPAC name of 2-amino-4-methylpentanoic acid;2,5-diamino-5-oxopentanoic acid (CID 22633836) is 2-amino-4-methylpentanoic acid;2,5-diamino-5-oxopentanoic acid.
What is the SMILES notation for 2-amino-4-methylpentanoic acid;2,5-diamino-5-oxopentanoic acid?
The canonical SMILES for 2-amino-4-methylpentanoic acid;2,5-diamino-5-oxopentanoic acid is CC(C)CC(N)C(=O)O.NC(=O)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-methylpentanoic acid;2,5-diamino-5-oxopentanoic acid?
The InChIKey is BQLGEMBOYMFQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C5H10N2O3/c1-4(2)3-5(7)6(8)9;6-3(5(9)10)1-2-4(7)8/h4-5H,3,7H2,1-2H3,(H,8,9);3H,1-2,6H2,(H2,7,8)(H,9,10).
What are the key properties of 2-amino-4-methylpentanoic acid;2,5-diamino-5-oxopentanoic acid?
2-amino-4-methylpentanoic acid;2,5-diamino-5-oxopentanoic acid has a molecular weight of 277.32 g/mol, XLogP of -0.89, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylpentanoic acid;2,5-diamino-5-oxopentanoic acid is sourced from PubChem (CID 22633836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).