3-aminopropanoic acid;2,5-diamino-5-oxopentanoic acid

C8H17N3O5 — CID 166652830

IUPAC3-aminopropanoic acid;2,5-diamino-5-oxopentanoic acid
SMILESNC(=O)CCC(N)C(=O)O.NCCC(=O)O
InChIInChI=1S/C5H10N2O3.C3H7NO2/c6-3(5(9)10)1-2-4(7)8;4-2-1-3(5)6/h3H,1-2,6H2,(H2,7,8)(H,9,10);1-2,4H2,(H,5,6)
InChIKeyKADCYTLUZPYPRQ-UHFFFAOYSA-N
MW235.24 g/mol
LogP-1.92
Rot. Bonds6

About 3-aminopropanoic acid;2,5-diamino-5-oxopentanoic acid

3-aminopropanoic acid;2,5-diamino-5-oxopentanoic acid (PubChem CID 166652830) has the molecular formula C8H17N3O5 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-aminopropanoic acid;2,5-diamino-5-oxopentanoic acid.

Molecular Properties

Compound Name3-aminopropanoic acid;2,5-diamino-5-oxopentanoic acid
PubChem CID166652830
Molecular FormulaC8H17N3O5
Molecular Weight235.24 g/mol
Exact Mass235.12
IUPAC Name3-aminopropanoic acid;2,5-diamino-5-oxopentanoic acid
SMILESNC(=O)CCC(N)C(=O)O.NCCC(=O)O
InChIInChI=1S/C5H10N2O3.C3H7NO2/c6-3(5(9)10)1-2-4(7)8;4-2-1-3(5)6/h3H,1-2,6H2,(H2,7,8)(H,9,10);1-2,4H2,(H,5,6)
InChIKeyKADCYTLUZPYPRQ-UHFFFAOYSA-N
XLogP-1.92
TPSA169.73 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-1.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 22791125
bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid
CID 134265308
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
2-aminoethanethiol;(2S)-2,5-diamino-5-oxopentanoic acid
CID 174806169
2-aminoacetamide;(2S)-2-aminopentanedioic acid
CID 88807329
(2S)-2,5-diamino-5-oxopentanoic acid;propanedioic acid
CID 159876263

Frequently Asked Questions

What is the IUPAC name of 3-aminopropanoic acid;2,5-diamino-5-oxopentanoic acid?
The IUPAC name of 3-aminopropanoic acid;2,5-diamino-5-oxopentanoic acid (CID 166652830) is 3-aminopropanoic acid;2,5-diamino-5-oxopentanoic acid.
What is the SMILES notation for 3-aminopropanoic acid;2,5-diamino-5-oxopentanoic acid?
The canonical SMILES for 3-aminopropanoic acid;2,5-diamino-5-oxopentanoic acid is NC(=O)CCC(N)C(=O)O.NCCC(=O)O.
What is the InChIKey of 3-aminopropanoic acid;2,5-diamino-5-oxopentanoic acid?
The InChIKey is KADCYTLUZPYPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3.C3H7NO2/c6-3(5(9)10)1-2-4(7)8;4-2-1-3(5)6/h3H,1-2,6H2,(H2,7,8)(H,9,10);1-2,4H2,(H,5,6).
What are the key properties of 3-aminopropanoic acid;2,5-diamino-5-oxopentanoic acid?
3-aminopropanoic acid;2,5-diamino-5-oxopentanoic acid has a molecular weight of 235.24 g/mol, XLogP of -1.92, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropanoic acid;2,5-diamino-5-oxopentanoic acid is sourced from PubChem (CID 166652830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).