3,5-diamino-5-oxopentanoic acid;2,5-diaminopentanoic acid;gadolinium

C10H22GdN4O5 — CID 175333874

IUPAC3,5-diamino-5-oxopentanoic acid;2,5-diaminopentanoic acid;gadolinium
SMILESNC(=O)CC(N)CC(=O)O.NCCCC(N)C(=O)O.[Gd]
InChIInChI=1S/C5H10N2O3.C5H12N2O2.Gd/c6-3(1-4(7)8)2-5(9)10;6-3-1-2-4(7)5(8)9;/h3H,1-2,6H2,(H2,7,8)(H,9,10);4H,1-3,6-7H2,(H,8,9);
InChIKeyPATAVESJOKKDMA-UHFFFAOYSA-N
MW435.56 g/mol
LogP-2.20
Rot. Bonds8

About 3,5-diamino-5-oxopentanoic acid;2,5-diaminopentanoic acid;gadolinium

3,5-diamino-5-oxopentanoic acid;2,5-diaminopentanoic acid;gadolinium (PubChem CID 175333874) has the molecular formula C10H22GdN4O5 and a molecular weight of 435.56 g/mol. Its IUPAC name is 3,5-diamino-5-oxopentanoic acid;2,5-diaminopentanoic acid;gadolinium.

Molecular Properties

Compound Name3,5-diamino-5-oxopentanoic acid;2,5-diaminopentanoic acid;gadolinium
PubChem CID175333874
Molecular FormulaC10H22GdN4O5
Molecular Weight435.56 g/mol
Exact Mass436.08
IUPAC Name3,5-diamino-5-oxopentanoic acid;2,5-diaminopentanoic acid;gadolinium
SMILESNC(=O)CC(N)CC(=O)O.NCCCC(N)C(=O)O.[Gd]
InChIInChI=1S/C5H10N2O3.C5H12N2O2.Gd/c6-3(1-4(7)8)2-5(9)10;6-3-1-2-4(7)5(8)9;/h3H,1-2,6H2,(H2,7,8)(H,9,10);4H,1-3,6-7H2,(H,8,9);
InChIKeyPATAVESJOKKDMA-UHFFFAOYSA-N
XLogP-2.20
TPSA195.75 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.56
LogP ≤ 5-2.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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(2S)-2,5-diaminopentanoic acid;methanol
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CID 175233947
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CID 175036694
2,7,10-triaminodecanoic acid
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2,5-diaminopentanoic acid;3-hydroxybutanoic acid
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2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
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CID 87126167

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-5-oxopentanoic acid;2,5-diaminopentanoic acid;gadolinium?
The IUPAC name of 3,5-diamino-5-oxopentanoic acid;2,5-diaminopentanoic acid;gadolinium (CID 175333874) is 3,5-diamino-5-oxopentanoic acid;2,5-diaminopentanoic acid;gadolinium.
What is the SMILES notation for 3,5-diamino-5-oxopentanoic acid;2,5-diaminopentanoic acid;gadolinium?
The canonical SMILES for 3,5-diamino-5-oxopentanoic acid;2,5-diaminopentanoic acid;gadolinium is NC(=O)CC(N)CC(=O)O.NCCCC(N)C(=O)O.[Gd].
What is the InChIKey of 3,5-diamino-5-oxopentanoic acid;2,5-diaminopentanoic acid;gadolinium?
The InChIKey is PATAVESJOKKDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3.C5H12N2O2.Gd/c6-3(1-4(7)8)2-5(9)10;6-3-1-2-4(7)5(8)9;/h3H,1-2,6H2,(H2,7,8)(H,9,10);4H,1-3,6-7H2,(H,8,9);.
What are the key properties of 3,5-diamino-5-oxopentanoic acid;2,5-diaminopentanoic acid;gadolinium?
3,5-diamino-5-oxopentanoic acid;2,5-diaminopentanoic acid;gadolinium has a molecular weight of 435.56 g/mol, XLogP of -2.20, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-5-oxopentanoic acid;2,5-diaminopentanoic acid;gadolinium is sourced from PubChem (CID 175333874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).