2-aminodecanoic acid;prop-2-enoic acid

C13H25NO4 — CID 160700626

IUPAC2-aminodecanoic acid;prop-2-enoic acid
SMILESC=CC(=O)O.CCCCCCCCC(N)C(=O)O
InChIInChI=1S/C10H21NO2.C3H4O2/c1-2-3-4-5-6-7-8-9(11)10(12)13;1-2-3(4)5/h9H,2-8,11H2,1H3,(H,12,13);2H,1H2,(H,4,5)
InChIKeyRQOLKUQIURBUQV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.41
Rot. Bonds9

About 2-aminodecanoic acid;prop-2-enoic acid

2-aminodecanoic acid;prop-2-enoic acid (PubChem CID 160700626) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-aminodecanoic acid;prop-2-enoic acid.

Molecular Properties

Compound Name2-aminodecanoic acid;prop-2-enoic acid
PubChem CID160700626
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2-aminodecanoic acid;prop-2-enoic acid
SMILESC=CC(=O)O.CCCCCCCCC(N)C(=O)O
InChIInChI=1S/C10H21NO2.C3H4O2/c1-2-3-4-5-6-7-8-9(11)10(12)13;1-2-3(4)5/h9H,2-8,11H2,1H3,(H,12,13);2H,1H2,(H,4,5)
InChIKeyRQOLKUQIURBUQV-UHFFFAOYSA-N
XLogP2.41
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-aminopentacosanoic acid
CID 158815459
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminododecanoic acid
CID 10560640
2-aminohexadecanoic acid;azane
CID 175267671
sodium;(2S)-2-aminotridecanoic acid;hydride
CID 174527444
4-aminononadec-1-en-3-one
CID 141408197
4-aminotridec-1-en-3-one
CID 168863817
2-aminoundecanoic acid;2-methylprop-2-enamide
CID 157268001
heptadecane;prop-2-enoic acid
CID 158681422
icosane;nonadecane;bis(prop-2-enoic acid)
CID 173305512
dodecane-1,1-diol;tris(prop-2-enoic acid)
CID 157166263
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522

Frequently Asked Questions

What is the IUPAC name of 2-aminodecanoic acid;prop-2-enoic acid?
The IUPAC name of 2-aminodecanoic acid;prop-2-enoic acid (CID 160700626) is 2-aminodecanoic acid;prop-2-enoic acid.
What is the SMILES notation for 2-aminodecanoic acid;prop-2-enoic acid?
The canonical SMILES for 2-aminodecanoic acid;prop-2-enoic acid is C=CC(=O)O.CCCCCCCCC(N)C(=O)O.
What is the InChIKey of 2-aminodecanoic acid;prop-2-enoic acid?
The InChIKey is RQOLKUQIURBUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2.C3H4O2/c1-2-3-4-5-6-7-8-9(11)10(12)13;1-2-3(4)5/h9H,2-8,11H2,1H3,(H,12,13);2H,1H2,(H,4,5).
What are the key properties of 2-aminodecanoic acid;prop-2-enoic acid?
2-aminodecanoic acid;prop-2-enoic acid has a molecular weight of 259.35 g/mol, XLogP of 2.41, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminodecanoic acid;prop-2-enoic acid is sourced from PubChem (CID 160700626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).