5-amino-2-(3-amino-3-oxopropyl)-5-oxopentanoic acid

C8H14N2O4 — CID 100986466

IUPAC5-amino-2-(3-amino-3-oxopropyl)-5-oxopentanoic acid
SMILESNC(=O)CCC(CCC(N)=O)C(=O)O
InChIInChI=1S/C8H14N2O4/c9-6(11)3-1-5(8(13)14)2-4-7(10)12/h5H,1-4H2,(H2,9,11)(H2,10,12)(H,13,14)
InChIKeyXDMHREHSVKXHBW-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.78
Rot. Bonds7

About 5-amino-2-(3-amino-3-oxopropyl)-5-oxopentanoic acid

5-amino-2-(3-amino-3-oxopropyl)-5-oxopentanoic acid (PubChem CID 100986466) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-amino-2-(3-amino-3-oxopropyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-(3-amino-3-oxopropyl)-5-oxopentanoic acid
PubChem CID100986466
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name5-amino-2-(3-amino-3-oxopropyl)-5-oxopentanoic acid
SMILESNC(=O)CCC(CCC(N)=O)C(=O)O
InChIInChI=1S/C8H14N2O4/c9-6(11)3-1-5(8(13)14)2-4-7(10)12/h5H,1-4H2,(H2,9,11)(H2,10,12)(H,13,14)
InChIKeyXDMHREHSVKXHBW-UHFFFAOYSA-N
XLogP-0.78
TPSA123.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-3-oxopropyl)heptadecanoic acid
CID 174561559
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
octane-1,3,6,8-tetracarboxylic acid
CID 89155877
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-(2-hydroxyethyl)pentanediamide
CID 23104502
(2S)-2,5-diamino-5-oxopentanoic acid;sulfanol
CID 174328641
(2S)-2-ethylpentanediamide
CID 146526357

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-amino-3-oxopropyl)-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-(3-amino-3-oxopropyl)-5-oxopentanoic acid (CID 100986466) is 5-amino-2-(3-amino-3-oxopropyl)-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-(3-amino-3-oxopropyl)-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-(3-amino-3-oxopropyl)-5-oxopentanoic acid is NC(=O)CCC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-(3-amino-3-oxopropyl)-5-oxopentanoic acid?
The InChIKey is XDMHREHSVKXHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c9-6(11)3-1-5(8(13)14)2-4-7(10)12/h5H,1-4H2,(H2,9,11)(H2,10,12)(H,13,14).
What are the key properties of 5-amino-2-(3-amino-3-oxopropyl)-5-oxopentanoic acid?
5-amino-2-(3-amino-3-oxopropyl)-5-oxopentanoic acid has a molecular weight of 202.21 g/mol, XLogP of -0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-amino-3-oxopropyl)-5-oxopentanoic acid is sourced from PubChem (CID 100986466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).