decanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid

C14H28N2O5 — CID 86612385

IUPACdecanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid
SMILESCCCCCCCCCC(=O)O.NC(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C10H20O2.C4H8N2O3/c1-2-3-4-5-6-7-8-9-10(11)12;5-2(4(8)9)1-3(6)7/h2-9H2,1H3,(H,11,12);2H,1,5H2,(H2,6,7)(H,8,9)/t;2-/m.0/s1
InChIKeyIEQFVCRGGBKTHG-WNQIDUERSA-N
MW304.39 g/mol
LogP1.49
Rot. Bonds11

About decanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid

decanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid (PubChem CID 86612385) has the molecular formula C14H28N2O5 and a molecular weight of 304.39 g/mol. Its IUPAC name is decanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid.

Molecular Properties

Compound Namedecanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid
PubChem CID86612385
Molecular FormulaC14H28N2O5
Molecular Weight304.39 g/mol
Exact Mass304.20
IUPAC Namedecanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid
SMILESCCCCCCCCCC(=O)O.NC(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C10H20O2.C4H8N2O3/c1-2-3-4-5-6-7-8-9-10(11)12;5-2(4(8)9)1-3(6)7/h2-9H2,1H3,(H,11,12);2H,1,5H2,(H2,6,7)(H,8,9)/t;2-/m.0/s1
InChIKeyIEQFVCRGGBKTHG-WNQIDUERSA-N
XLogP1.49
TPSA143.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.49
H-Bond Donors ≤ 54
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-aminobutanedioic acid;dodecanoic acid
CID 131742199
(2S)-2,4-diamino-4-oxobutanoic acid;12-methyltridecanoic acid
CID 87770327
2-aminopentanedioic acid;dodecanoic acid
CID 175003829
dodecanamide;hexanoic acid
CID 19807771
dodecanamide;dodecanoic acid
CID 23079031
(2S)-2-aminopropanoic acid;decanoic acid
CID 89052337
nonanoic acid;pentanediamide
CID 175768289
CID 172852931
CID 172852931
carbamic acid;docosanoic acid
CID 170310073
(2S)-2-amino-3-hydroxypropanoic acid;tetradecanamide
CID 87408831
dodecanoic acid;tris(2-hydroxyacetamide)
CID 161152486
azane;carbamic acid;hexadecanoic acid
CID 174832395

Frequently Asked Questions

What is the IUPAC name of decanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid?
The IUPAC name of decanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid (CID 86612385) is decanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid.
What is the SMILES notation for decanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid?
The canonical SMILES for decanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid is CCCCCCCCCC(=O)O.NC(=O)C[C@H](N)C(=O)O.
What is the InChIKey of decanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid?
The InChIKey is IEQFVCRGGBKTHG-WNQIDUERSA-N. The full InChI is InChI=1S/C10H20O2.C4H8N2O3/c1-2-3-4-5-6-7-8-9-10(11)12;5-2(4(8)9)1-3(6)7/h2-9H2,1H3,(H,11,12);2H,1,5H2,(H2,6,7)(H,8,9)/t;2-/m.0/s1.
What are the key properties of decanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid?
decanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid has a molecular weight of 304.39 g/mol, XLogP of 1.49, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid is sourced from PubChem (CID 86612385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).