4-aminoicosanoic acid

C20H41NO2 — CID 57269724

IUPAC4-aminoicosanoic acid
SMILESCCCCCCCCCCCCCCCCC(N)CCC(=O)O
InChIInChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21)17-18-20(22)23/h19H,2-18,21H2,1H3,(H,22,23)
InChIKeyDGGCCJMQANSXOL-UHFFFAOYSA-N
MW327.55 g/mol
LogP6.05
Rot. Bonds18

About 4-aminoicosanoic acid

4-aminoicosanoic acid (PubChem CID 57269724) has the molecular formula C20H41NO2 and a molecular weight of 327.55 g/mol. Its IUPAC name is 4-aminoicosanoic acid.

Molecular Properties

Compound Name4-aminoicosanoic acid
PubChem CID57269724
Molecular FormulaC20H41NO2
Molecular Weight327.55 g/mol
Exact Mass327.31
IUPAC Name4-aminoicosanoic acid
SMILESCCCCCCCCCCCCCCCCC(N)CCC(=O)O
InChIInChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21)17-18-20(22)23/h19H,2-18,21H2,1H3,(H,22,23)
InChIKeyDGGCCJMQANSXOL-UHFFFAOYSA-N
XLogP6.05
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.55
LogP ≤ 56.05
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

4-aminooctadecanoic acid
CID 154390224
9-aminopentadecanoic acid
CID 87304604
7-aminoundecanoic acid
CID 87457372
acetic acid;heptatriacontan-19-amine
CID 173373447
11-aminotetradecanoic acid
CID 87305919
4-decyl-11-pentylnonadecanoic acid
CID 57279723
3-aminononanoic acid
CID 2832746
4,9-diaminononanoic acid
CID 88791042
6,12-diaminoheptadecanedioic acid
CID 23455605
4-hydroxyhexadecanoic acid
CID 5282904
4-methyltetradecanoic acid
CID 23454322
pentacosan-7-amine
CID 88938409

Frequently Asked Questions

What is the IUPAC name of 4-aminoicosanoic acid?
The IUPAC name of 4-aminoicosanoic acid (CID 57269724) is 4-aminoicosanoic acid.
What is the SMILES notation for 4-aminoicosanoic acid?
The canonical SMILES for 4-aminoicosanoic acid is CCCCCCCCCCCCCCCCC(N)CCC(=O)O.
What is the InChIKey of 4-aminoicosanoic acid?
The InChIKey is DGGCCJMQANSXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21)17-18-20(22)23/h19H,2-18,21H2,1H3,(H,22,23).
What are the key properties of 4-aminoicosanoic acid?
4-aminoicosanoic acid has a molecular weight of 327.55 g/mol, XLogP of 6.05, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminoicosanoic acid is sourced from PubChem (CID 57269724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).