(2S)-2,5-diaminopentanoic acid;3-methyl-2-oxobutanoic acid

C10H20N2O5 — CID 14406339

IUPAC(2S)-2,5-diaminopentanoic acid;3-methyl-2-oxobutanoic acid
SMILESCC(C)C(=O)C(=O)O.NCCC[C@H](N)C(=O)O
InChIInChI=1S/C5H12N2O2.C5H8O3/c6-3-1-2-4(7)5(8)9;1-3(2)4(6)5(7)8/h4H,1-3,6-7H2,(H,8,9);3H,1-2H3,(H,7,8)/t4-;/m0./s1
InChIKeyIUQCXXQQMQULHI-WCCKRBBISA-N
MW248.28 g/mol
LogP-0.57
Rot. Bonds6

About (2S)-2,5-diaminopentanoic acid;3-methyl-2-oxobutanoic acid

(2S)-2,5-diaminopentanoic acid;3-methyl-2-oxobutanoic acid (PubChem CID 14406339) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2S)-2,5-diaminopentanoic acid;3-methyl-2-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-2,5-diaminopentanoic acid;3-methyl-2-oxobutanoic acid
PubChem CID14406339
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name(2S)-2,5-diaminopentanoic acid;3-methyl-2-oxobutanoic acid
SMILESCC(C)C(=O)C(=O)O.NCCC[C@H](N)C(=O)O
InChIInChI=1S/C5H12N2O2.C5H8O3/c6-3-1-2-4(7)5(8)9;1-3(2)4(6)5(7)8/h4H,1-3,6-7H2,(H,8,9);3H,1-2H3,(H,7,8)/t4-;/m0./s1
InChIKeyIUQCXXQQMQULHI-WCCKRBBISA-N
XLogP-0.57
TPSA143.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-2,5-diaminopentanoic acid;methanol
CID 87528483
zinc 2,5-diaminopentanoic acid
CID 56838280
butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid
CID 87187240
bis(2,5-diaminopentanoic acid);trihydrochloride
CID 175233947
cerium;(2R)-2,5-diaminopentanoic acid
CID 175036694
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
bis(2-amino-4-methylpentanoic acid);bis(2,5-diaminopentanoic acid)
CID 173251323
2,5-diaminopentanoic acid;ethane-1,2-diol
CID 174654889
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2,5-diaminopentanoic acid;3-hydroxybutanoic acid
CID 90459084

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diaminopentanoic acid;3-methyl-2-oxobutanoic acid?
The IUPAC name of (2S)-2,5-diaminopentanoic acid;3-methyl-2-oxobutanoic acid (CID 14406339) is (2S)-2,5-diaminopentanoic acid;3-methyl-2-oxobutanoic acid.
What is the SMILES notation for (2S)-2,5-diaminopentanoic acid;3-methyl-2-oxobutanoic acid?
The canonical SMILES for (2S)-2,5-diaminopentanoic acid;3-methyl-2-oxobutanoic acid is CC(C)C(=O)C(=O)O.NCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2,5-diaminopentanoic acid;3-methyl-2-oxobutanoic acid?
The InChIKey is IUQCXXQQMQULHI-WCCKRBBISA-N. The full InChI is InChI=1S/C5H12N2O2.C5H8O3/c6-3-1-2-4(7)5(8)9;1-3(2)4(6)5(7)8/h4H,1-3,6-7H2,(H,8,9);3H,1-2H3,(H,7,8)/t4-;/m0./s1.
What are the key properties of (2S)-2,5-diaminopentanoic acid;3-methyl-2-oxobutanoic acid?
(2S)-2,5-diaminopentanoic acid;3-methyl-2-oxobutanoic acid has a molecular weight of 248.28 g/mol, XLogP of -0.57, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diaminopentanoic acid;3-methyl-2-oxobutanoic acid is sourced from PubChem (CID 14406339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).