15-(3-carboxypropylamino)pentadecanoic acid

C19H37NO4 — CID 87379366

IUPAC15-(3-carboxypropylamino)pentadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCNCCCC(=O)O
InChIInChI=1S/C19H37NO4/c21-18(22)14-11-9-7-5-3-1-2-4-6-8-10-12-16-20-17-13-15-19(23)24/h20H,1-17H2,(H,21,22)(H,23,24)
InChIKeyRNJMKXFJSAQPHV-UHFFFAOYSA-N
MW343.51 g/mol
LogP4.60
Rot. Bonds19

About 15-(3-carboxypropylamino)pentadecanoic acid

15-(3-carboxypropylamino)pentadecanoic acid (PubChem CID 87379366) has the molecular formula C19H37NO4 and a molecular weight of 343.51 g/mol. Its IUPAC name is 15-(3-carboxypropylamino)pentadecanoic acid.

Molecular Properties

Compound Name15-(3-carboxypropylamino)pentadecanoic acid
PubChem CID87379366
Molecular FormulaC19H37NO4
Molecular Weight343.51 g/mol
Exact Mass343.27
IUPAC Name15-(3-carboxypropylamino)pentadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCNCCCC(=O)O
InChIInChI=1S/C19H37NO4/c21-18(22)14-11-9-7-5-3-1-2-4-6-8-10-12-16-20-17-13-15-19(23)24/h20H,1-17H2,(H,21,22)(H,23,24)
InChIKeyRNJMKXFJSAQPHV-UHFFFAOYSA-N
XLogP4.60
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.60
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

11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
CID 18956800
4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid
CID 87391029
4-(3-carboxypropylamino)butanoic acid
CID 4072500
5-(5-hydroxypentylamino)pentanoic acid
CID 107318223
4-[4-[13-(2-hydroxyethylamino)tridecylamino]butylamino]butanoic acid
CID 141446490
14-(2-aminoethylamino)tetradecanoic acid
CID 173203671
4-[23-(hydroxyamino)tricosylamino]butanoic acid
CID 141334650
13-(hexylamino)tridecanoic acid
CID 21488721
12-(pentylamino)dodecanoic acid
CID 57245176
6-(2-bromoethylamino)hexanoic acid
CID 102350693
6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086

Frequently Asked Questions

What is the IUPAC name of 15-(3-carboxypropylamino)pentadecanoic acid?
The IUPAC name of 15-(3-carboxypropylamino)pentadecanoic acid (CID 87379366) is 15-(3-carboxypropylamino)pentadecanoic acid.
What is the SMILES notation for 15-(3-carboxypropylamino)pentadecanoic acid?
The canonical SMILES for 15-(3-carboxypropylamino)pentadecanoic acid is O=C(O)CCCCCCCCCCCCCCNCCCC(=O)O.
What is the InChIKey of 15-(3-carboxypropylamino)pentadecanoic acid?
The InChIKey is RNJMKXFJSAQPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO4/c21-18(22)14-11-9-7-5-3-1-2-4-6-8-10-12-16-20-17-13-15-19(23)24/h20H,1-17H2,(H,21,22)(H,23,24).
What are the key properties of 15-(3-carboxypropylamino)pentadecanoic acid?
15-(3-carboxypropylamino)pentadecanoic acid has a molecular weight of 343.51 g/mol, XLogP of 4.60, 19 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(3-carboxypropylamino)pentadecanoic acid is sourced from PubChem (CID 87379366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).