2-aminopentanedioic acid;2,5-diaminopentanoic acid

C10H21N3O6 — CID 22007993

IUPAC2-aminopentanedioic acid;2,5-diaminopentanoic acid
SMILESNC(CCC(=O)O)C(=O)O.NCCCC(N)C(=O)O
InChIInChI=1S/C5H12N2O2.C5H9NO4/c6-3-1-2-4(7)5(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,6-7H2,(H,8,9);3H,1-2,6H2,(H,7,8)(H,9,10)
InChIKeyVIEFTSJBTHRPQM-UHFFFAOYSA-N
MW279.29 g/mol
LogP-1.60
Rot. Bonds8

About 2-aminopentanedioic acid;2,5-diaminopentanoic acid

2-aminopentanedioic acid;2,5-diaminopentanoic acid (PubChem CID 22007993) has the molecular formula C10H21N3O6 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-aminopentanedioic acid;2,5-diaminopentanoic acid.

Molecular Properties

Compound Name2-aminopentanedioic acid;2,5-diaminopentanoic acid
PubChem CID22007993
Molecular FormulaC10H21N3O6
Molecular Weight279.29 g/mol
Exact Mass279.14
IUPAC Name2-aminopentanedioic acid;2,5-diaminopentanoic acid
SMILESNC(CCC(=O)O)C(=O)O.NCCCC(N)C(=O)O
InChIInChI=1S/C5H12N2O2.C5H9NO4/c6-3-1-2-4(7)5(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,6-7H2,(H,8,9);3H,1-2,6H2,(H,7,8)(H,9,10)
InChIKeyVIEFTSJBTHRPQM-UHFFFAOYSA-N
XLogP-1.60
TPSA189.96 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.29
LogP ≤ 5-1.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

bis((2S)-2-aminopentanedioic acid);(2S)-2,5-diaminopentanoic acid;2-oxopentanedioic acid
CID 158953079
2-aminoethanol;(2S)-2-aminopentanedioic acid;(2S)-2,6-diaminohexanoic acid
CID 175329719
bis(butanedioic acid);2,6-diaminohexanoic acid
CID 87800370
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
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
bis(4-aminobutanoic acid);2,6-diaminohexanoic acid
CID 174697274
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
carbamic acid;2,5-diaminopentanoic acid
CID 22153959

Frequently Asked Questions

What is the IUPAC name of 2-aminopentanedioic acid;2,5-diaminopentanoic acid?
The IUPAC name of 2-aminopentanedioic acid;2,5-diaminopentanoic acid (CID 22007993) is 2-aminopentanedioic acid;2,5-diaminopentanoic acid.
What is the SMILES notation for 2-aminopentanedioic acid;2,5-diaminopentanoic acid?
The canonical SMILES for 2-aminopentanedioic acid;2,5-diaminopentanoic acid is NC(CCC(=O)O)C(=O)O.NCCCC(N)C(=O)O.
What is the InChIKey of 2-aminopentanedioic acid;2,5-diaminopentanoic acid?
The InChIKey is VIEFTSJBTHRPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.C5H9NO4/c6-3-1-2-4(7)5(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,6-7H2,(H,8,9);3H,1-2,6H2,(H,7,8)(H,9,10).
What are the key properties of 2-aminopentanedioic acid;2,5-diaminopentanoic acid?
2-aminopentanedioic acid;2,5-diaminopentanoic acid has a molecular weight of 279.29 g/mol, XLogP of -1.60, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopentanedioic acid;2,5-diaminopentanoic acid is sourced from PubChem (CID 22007993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).