(2S)-2-aminopropanoic acid;decanoic acid

C13H27NO4 — CID 89052337

IUPAC(2S)-2-aminopropanoic acid;decanoic acid
SMILESCCCCCCCCCC(=O)O.C[C@H](N)C(=O)O
InChIInChI=1S/C10H20O2.C3H7NO2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2(4)3(5)6/h2-9H2,1H3,(H,11,12);2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1
InChIKeyIACQJCNRYQXZNJ-WNQIDUERSA-N
MW261.36 g/mol
LogP2.63
Rot. Bonds9

About (2S)-2-aminopropanoic acid;decanoic acid

(2S)-2-aminopropanoic acid;decanoic acid (PubChem CID 89052337) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is (2S)-2-aminopropanoic acid;decanoic acid.

Molecular Properties

Compound Name(2S)-2-aminopropanoic acid;decanoic acid
PubChem CID89052337
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name(2S)-2-aminopropanoic acid;decanoic acid
SMILESCCCCCCCCCC(=O)O.C[C@H](N)C(=O)O
InChIInChI=1S/C10H20O2.C3H7NO2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2(4)3(5)6/h2-9H2,1H3,(H,11,12);2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1
InChIKeyIACQJCNRYQXZNJ-WNQIDUERSA-N
XLogP2.63
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanoic acid;decanoic acid?
The IUPAC name of (2S)-2-aminopropanoic acid;decanoic acid (CID 89052337) is (2S)-2-aminopropanoic acid;decanoic acid.
What is the SMILES notation for (2S)-2-aminopropanoic acid;decanoic acid?
The canonical SMILES for (2S)-2-aminopropanoic acid;decanoic acid is CCCCCCCCCC(=O)O.C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-aminopropanoic acid;decanoic acid?
The InChIKey is IACQJCNRYQXZNJ-WNQIDUERSA-N. The full InChI is InChI=1S/C10H20O2.C3H7NO2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2(4)3(5)6/h2-9H2,1H3,(H,11,12);2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1.
What are the key properties of (2S)-2-aminopropanoic acid;decanoic acid?
(2S)-2-aminopropanoic acid;decanoic acid has a molecular weight of 261.36 g/mol, XLogP of 2.63, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanoic acid;decanoic acid is sourced from PubChem (CID 89052337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).