2,4-diamino-5-oxodecanoic acid

C10H20N2O3 — CID 138595877

IUPAC2,4-diamino-5-oxodecanoic acid
SMILESCCCCCC(=O)C(N)CC(N)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-2-3-4-5-9(13)7(11)6-8(12)10(14)15/h7-8H,2-6,11-12H2,1H3,(H,14,15)
InChIKeyKEGRPQMZNMQJAA-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.27
Rot. Bonds8

About 2,4-diamino-5-oxodecanoic acid

2,4-diamino-5-oxodecanoic acid (PubChem CID 138595877) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2,4-diamino-5-oxodecanoic acid.

Molecular Properties

Compound Name2,4-diamino-5-oxodecanoic acid
PubChem CID138595877
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2,4-diamino-5-oxodecanoic acid
SMILESCCCCCC(=O)C(N)CC(N)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-2-3-4-5-9(13)7(11)6-8(12)10(14)15/h7-8H,2-6,11-12H2,1H3,(H,14,15)
InChIKeyKEGRPQMZNMQJAA-UHFFFAOYSA-N
XLogP0.27
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2,5-diamino-6-oxohenicosanoic acid
CID 22792812
4-amino-2-methyltetradecan-5-one
CID 116553430
2-amino-1-hydroxyoctadecan-3-one
CID 631
(2S)-1,2-diaminotetradecan-3-one
CID 94859791
(2S)-2-aminobutanedioic acid;dodecanoic acid
CID 131742199
(2R)-2-amino-1-hydroxyoctadecan-3-one;hydrochloride
CID 56846070
(2R)-2-amino-4-methyl-6-oxohenicosanoic acid
CID 90102873
2-[(2S)-2-amino-3-oxohexyl]propanedioic acid
CID 175715346
19-aminooctatriacontane-18,21-dione
CID 163964320
(2S,4R)-2-amino-4-methylnonanoic acid
CID 165389386
decanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid
CID 86612385
(2S)-2-amino-5,6-dioxohenicosanoic acid
CID 175716669

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-oxodecanoic acid?
The IUPAC name of 2,4-diamino-5-oxodecanoic acid (CID 138595877) is 2,4-diamino-5-oxodecanoic acid.
What is the SMILES notation for 2,4-diamino-5-oxodecanoic acid?
The canonical SMILES for 2,4-diamino-5-oxodecanoic acid is CCCCCC(=O)C(N)CC(N)C(=O)O.
What is the InChIKey of 2,4-diamino-5-oxodecanoic acid?
The InChIKey is KEGRPQMZNMQJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-2-3-4-5-9(13)7(11)6-8(12)10(14)15/h7-8H,2-6,11-12H2,1H3,(H,14,15).
What are the key properties of 2,4-diamino-5-oxodecanoic acid?
2,4-diamino-5-oxodecanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-oxodecanoic acid is sourced from PubChem (CID 138595877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).