bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid

C15H28N4O11 — CID 134265308

IUPACbis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid
SMILESNC(=O)CCC(N)C(=O)O.NC(CCC(=O)O)C(=O)O.NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C5H10N2O3.2C5H9NO4/c3*6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10);2*3H,1-2,6H2,(H,7,8)(H,9,10)
InChIKeyJPAKSYMSJQQRIT-UHFFFAOYSA-N
MW440.41 g/mol
LogP-2.81
Rot. Bonds12

About bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid

bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid (PubChem CID 134265308) has the molecular formula C15H28N4O11 and a molecular weight of 440.41 g/mol. Its IUPAC name is bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid.

Molecular Properties

Compound Namebis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid
PubChem CID134265308
Molecular FormulaC15H28N4O11
Molecular Weight440.41 g/mol
Exact Mass440.18
IUPAC Namebis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid
SMILESNC(=O)CCC(N)C(=O)O.NC(CCC(=O)O)C(=O)O.NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C5H10N2O3.2C5H9NO4/c3*6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10);2*3H,1-2,6H2,(H,7,8)(H,9,10)
InChIKeyJPAKSYMSJQQRIT-UHFFFAOYSA-N
XLogP-2.81
TPSA307.65 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.41
LogP ≤ 5-2.81
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

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Related Compounds

(2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 22791125
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
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
2-aminopentanedioic acid;2-amino-3-sulfanylpropanoic acid;2,5-diamino-5-oxopentanoic acid
CID 174295124
3-aminopropanoic acid;2,5-diamino-5-oxopentanoic acid
CID 166652830

Frequently Asked Questions

What is the IUPAC name of bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid?
The IUPAC name of bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid (CID 134265308) is bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid.
What is the SMILES notation for bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid?
The canonical SMILES for bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid is NC(=O)CCC(N)C(=O)O.NC(CCC(=O)O)C(=O)O.NC(CCC(=O)O)C(=O)O.
What is the InChIKey of bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid?
The InChIKey is JPAKSYMSJQQRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3.2C5H9NO4/c3*6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10);2*3H,1-2,6H2,(H,7,8)(H,9,10).
What are the key properties of bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid?
bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid has a molecular weight of 440.41 g/mol, XLogP of -2.81, 12 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid is sourced from PubChem (CID 134265308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).