11-aminotetradecanoic acid

C14H29NO2 — CID 87305919

IUPAC11-aminotetradecanoic acid
SMILESCCCC(N)CCCCCCCCCC(=O)O
InChIInChI=1S/C14H29NO2/c1-2-10-13(15)11-8-6-4-3-5-7-9-12-14(16)17/h13H,2-12,15H2,1H3,(H,16,17)
InChIKeyFXRHDZHYWAVFIP-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.71
Rot. Bonds12

About 11-aminotetradecanoic acid

11-aminotetradecanoic acid (PubChem CID 87305919) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 11-aminotetradecanoic acid.

Molecular Properties

Compound Name11-aminotetradecanoic acid
PubChem CID87305919
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name11-aminotetradecanoic acid
SMILESCCCC(N)CCCCCCCCCC(=O)O
InChIInChI=1S/C14H29NO2/c1-2-10-13(15)11-8-6-4-3-5-7-9-12-14(16)17/h13H,2-12,15H2,1H3,(H,16,17)
InChIKeyFXRHDZHYWAVFIP-UHFFFAOYSA-N
XLogP3.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-aminoundecanoic acid
CID 87457372
9-aminopentadecanoic acid
CID 87304604
6,12-diaminoheptadecanedioic acid
CID 23455605
5-aminododecanedioic acid
CID 3835680
4-aminoicosanoic acid
CID 57269724
4-aminooctadecanoic acid
CID 154390224
24-hydroxyheptacosanoic acid
CID 169277120
3-aminodocosanedioic acid
CID 57269564
14-aminopentadecanoic acid
CID 87306551
10-aminoundecanoic acid
CID 3771397
16,19-dihydroxydocosanoic acid
CID 169277473
15-chlorooctadecanoic acid
CID 101278160

Frequently Asked Questions

What is the IUPAC name of 11-aminotetradecanoic acid?
The IUPAC name of 11-aminotetradecanoic acid (CID 87305919) is 11-aminotetradecanoic acid.
What is the SMILES notation for 11-aminotetradecanoic acid?
The canonical SMILES for 11-aminotetradecanoic acid is CCCC(N)CCCCCCCCCC(=O)O.
What is the InChIKey of 11-aminotetradecanoic acid?
The InChIKey is FXRHDZHYWAVFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-2-10-13(15)11-8-6-4-3-5-7-9-12-14(16)17/h13H,2-12,15H2,1H3,(H,16,17).
What are the key properties of 11-aminotetradecanoic acid?
11-aminotetradecanoic acid has a molecular weight of 243.39 g/mol, XLogP of 3.71, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-aminotetradecanoic acid is sourced from PubChem (CID 87305919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).