2-aminopentanedioic acid;dodecanoic acid

C17H33NO6 — CID 175003829

IUPAC2-aminopentanedioic acid;dodecanoic acid
SMILESCCCCCCCCCCCC(=O)O.NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C12H24O2.C5H9NO4/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;6-3(5(9)10)1-2-4(7)8/h2-11H2,1H3,(H,13,14);3H,1-2,6H2,(H,7,8)(H,9,10)
InChIKeyUMBHVAZDOAKHJC-UHFFFAOYSA-N
MW347.45 g/mol
LogP3.26
Rot. Bonds14

About 2-aminopentanedioic acid;dodecanoic acid

2-aminopentanedioic acid;dodecanoic acid (PubChem CID 175003829) has the molecular formula C17H33NO6 and a molecular weight of 347.45 g/mol. Its IUPAC name is 2-aminopentanedioic acid;dodecanoic acid.

Molecular Properties

Compound Name2-aminopentanedioic acid;dodecanoic acid
PubChem CID175003829
Molecular FormulaC17H33NO6
Molecular Weight347.45 g/mol
Exact Mass347.23
IUPAC Name2-aminopentanedioic acid;dodecanoic acid
SMILESCCCCCCCCCCCC(=O)O.NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C12H24O2.C5H9NO4/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;6-3(5(9)10)1-2-4(7)8/h2-11H2,1H3,(H,13,14);3H,1-2,6H2,(H,7,8)(H,9,10)
InChIKeyUMBHVAZDOAKHJC-UHFFFAOYSA-N
XLogP3.26
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 53.26
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-aminohexanoic acid;(2S)-2-aminopentanedioic acid
CID 87638695
decanoic acid;(2S)-2,6-diaminohexanoic acid
CID 87982832
(2S)-2-amino-5,6-dioxohenicosanoic acid
CID 175716669
(2S)-2-aminobutanedioic acid;dodecanoic acid
CID 131742199
(2S)-2-amino-4-methylsulfanylbutanoic acid;octadecanoic acid
CID 88596572
potassium;2-aminopentanedioic acid;hexadecan-1-one
CID 175194995
sodium;(2S)-2-aminopentanedioic acid;octadecan-1-one
CID 89404884
(2S)-2-amino-4-methylsulfonylbutanoic acid;heptanoic acid
CID 87787288
2-aminopentanoic acid;pentanoic acid
CID 158644900
9-aminopentadecanoic acid
CID 87304604
(2S)-2-aminopentanedioic acid;butanedioic acid;butanoic acid
CID 158042899
(2S)-2-aminopropanoic acid;decanoic acid
CID 89052337

Frequently Asked Questions

What is the IUPAC name of 2-aminopentanedioic acid;dodecanoic acid?
The IUPAC name of 2-aminopentanedioic acid;dodecanoic acid (CID 175003829) is 2-aminopentanedioic acid;dodecanoic acid.
What is the SMILES notation for 2-aminopentanedioic acid;dodecanoic acid?
The canonical SMILES for 2-aminopentanedioic acid;dodecanoic acid is CCCCCCCCCCCC(=O)O.NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-aminopentanedioic acid;dodecanoic acid?
The InChIKey is UMBHVAZDOAKHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.C5H9NO4/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;6-3(5(9)10)1-2-4(7)8/h2-11H2,1H3,(H,13,14);3H,1-2,6H2,(H,7,8)(H,9,10).
What are the key properties of 2-aminopentanedioic acid;dodecanoic acid?
2-aminopentanedioic acid;dodecanoic acid has a molecular weight of 347.45 g/mol, XLogP of 3.26, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopentanedioic acid;dodecanoic acid is sourced from PubChem (CID 175003829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).