(2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid

C11H22N4O6 — CID 160740452

IUPAC(2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
SMILESNC(=O)CCC[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C6H12N2O3.C5H10N2O3/c7-4(6(10)11)2-1-3-5(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,7H2,(H2,8,9)(H,10,11);3H,1-2,6H2,(H2,7,8)(H,9,10)/t4-;3-/m00/s1
InChIKeyRVMVJJWLZWUYTC-WOYAITHZSA-N
MW306.32 g/mol
LogP-2.28
Rot. Bonds9

About (2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid

(2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid (PubChem CID 160740452) has the molecular formula C11H22N4O6 and a molecular weight of 306.32 g/mol. Its IUPAC name is (2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
PubChem CID160740452
Molecular FormulaC11H22N4O6
Molecular Weight306.32 g/mol
Exact Mass306.15
IUPAC Name(2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
SMILESNC(=O)CCC[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C6H12N2O3.C5H10N2O3/c7-4(6(10)11)2-1-3-5(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,7H2,(H2,8,9)(H,10,11);3H,1-2,6H2,(H2,7,8)(H,9,10)/t4-;3-/m00/s1
InChIKeyRVMVJJWLZWUYTC-WOYAITHZSA-N
XLogP-2.28
TPSA212.82 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.32
LogP ≤ 5-2.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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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)-2,7-diamino-7-oxoheptanoic acid
CID 88911267
(2S)-2,5-diamino-5-oxopentanoic acid;sulfanol
CID 174328641
2,5-diamino-5-oxopentanoic acid;oxalic acid
CID 22114581
potassium;sodium;2,5-diamino-5-oxopentanoic acid;hydride
CID 175449212
bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid
CID 134265308

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid?
The IUPAC name of (2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid (CID 160740452) is (2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid?
The canonical SMILES for (2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid is NC(=O)CCC[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid?
The InChIKey is RVMVJJWLZWUYTC-WOYAITHZSA-N. The full InChI is InChI=1S/C6H12N2O3.C5H10N2O3/c7-4(6(10)11)2-1-3-5(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,7H2,(H2,8,9)(H,10,11);3H,1-2,6H2,(H2,7,8)(H,9,10)/t4-;3-/m00/s1.
What are the key properties of (2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid?
(2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid has a molecular weight of 306.32 g/mol, XLogP of -2.28, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid is sourced from PubChem (CID 160740452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).