8-amino-4,7-dioxooctanoic acid

C8H13NO4 — CID 161356163

IUPAC8-amino-4,7-dioxooctanoic acid
SMILESNCC(=O)CCC(=O)CCC(=O)O
InChIInChI=1S/C8H13NO4/c9-5-7(11)2-1-6(10)3-4-8(12)13/h1-5,9H2,(H,12,13)
InChIKeyVOPBZGFUBDBRSO-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.27
Rot. Bonds7

About 8-amino-4,7-dioxooctanoic acid

8-amino-4,7-dioxooctanoic acid (PubChem CID 161356163) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 8-amino-4,7-dioxooctanoic acid.

Molecular Properties

Compound Name8-amino-4,7-dioxooctanoic acid
PubChem CID161356163
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name8-amino-4,7-dioxooctanoic acid
SMILESNCC(=O)CCC(=O)CCC(=O)O
InChIInChI=1S/C8H13NO4/c9-5-7(11)2-1-6(10)3-4-8(12)13/h1-5,9H2,(H,12,13)
InChIKeyVOPBZGFUBDBRSO-UHFFFAOYSA-N
XLogP-0.27
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(15N)azanyl-4-oxopentanoic acid
CID 11018904
5-amino-4-oxopentanoic acid;2-hydroxyacetic acid
CID 50943305
5-amino-4-oxopentanoic acid;2,2,2-trichloroacetic acid
CID 130277300
5-amino-4-oxopentanoic acid;pentanoic acid
CID 50943307
bis(5-amino-4-oxopentanoic acid);2,2-dichloroacetic acid;2,2,2-trichloroacetic acid
CID 161301964
bis(butanedioic acid);hydroxylamine
CID 174855273
5-(5-amino-4-oxopentanoyl)oxypentanoic acid
CID 73050911
bis(butanedioic acid);ethane-1,2-diamine;zinc
CID 173009719
CID 173009716
CID 173009716
azane;bis(butanedioic acid);ethane-1,2-diamine
CID 173216605
4,7-dioxononanoic acid
CID 131853038
2-aminoacetic acid;molecular hydrogen
CID 173030336

Frequently Asked Questions

What is the IUPAC name of 8-amino-4,7-dioxooctanoic acid?
The IUPAC name of 8-amino-4,7-dioxooctanoic acid (CID 161356163) is 8-amino-4,7-dioxooctanoic acid.
What is the SMILES notation for 8-amino-4,7-dioxooctanoic acid?
The canonical SMILES for 8-amino-4,7-dioxooctanoic acid is NCC(=O)CCC(=O)CCC(=O)O.
What is the InChIKey of 8-amino-4,7-dioxooctanoic acid?
The InChIKey is VOPBZGFUBDBRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c9-5-7(11)2-1-6(10)3-4-8(12)13/h1-5,9H2,(H,12,13).
What are the key properties of 8-amino-4,7-dioxooctanoic acid?
8-amino-4,7-dioxooctanoic acid has a molecular weight of 187.19 g/mol, XLogP of -0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4,7-dioxooctanoic acid is sourced from PubChem (CID 161356163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).