15-(3-carboxyprop-2-enylamino)pentadecanoic acid

C19H35NO4 — CID 174048267

IUPAC15-(3-carboxyprop-2-enylamino)pentadecanoic acid
SMILESO=C(O)C=CCNCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C19H35NO4/c21-18(22)14-11-9-7-5-3-1-2-4-6-8-10-12-16-20-17-13-15-19(23)24/h13,15,20H,1-12,14,16-17H2,(H,21,22)(H,23,24)
InChIKeyDYSLPIYJPIIQJR-UHFFFAOYSA-N
MW341.49 g/mol
LogP4.37
Rot. Bonds18

About 15-(3-carboxyprop-2-enylamino)pentadecanoic acid

15-(3-carboxyprop-2-enylamino)pentadecanoic acid (PubChem CID 174048267) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is 15-(3-carboxyprop-2-enylamino)pentadecanoic acid.

Molecular Properties

Compound Name15-(3-carboxyprop-2-enylamino)pentadecanoic acid
PubChem CID174048267
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Name15-(3-carboxyprop-2-enylamino)pentadecanoic acid
SMILESO=C(O)C=CCNCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C19H35NO4/c21-18(22)14-11-9-7-5-3-1-2-4-6-8-10-12-16-20-17-13-15-19(23)24/h13,15,20H,1-12,14,16-17H2,(H,21,22)(H,23,24)
InChIKeyDYSLPIYJPIIQJR-UHFFFAOYSA-N
XLogP4.37
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 54.37
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

4-(4-aminobutylamino)but-2-enoic acid
CID 91073878
11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
CID 18956800
15-(3-carboxypropylamino)pentadecanoic acid
CID 87379366
(Z)-undec-2-enedioic acid
CID 59435158
(33Z)-octatetraconta-2,33-dienedioic acid
CID 87703838
(Z)-but-2-enedioic acid;hexanedioic acid
CID 87949231
7-[[(Z)-3-carboxyprop-2-enoyl]amino]heptanoic acid
CID 10776610
19-[[(Z)-3-carboxyprop-2-enoyl]amino]nonadecanoic acid
CID 88731152
4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid
CID 87391029
butanedioic acid;bis(but-2-enedioic acid);hexanedioic acid
CID 172744714
10-(ethylamino)decanoic acid
CID 57308942
14-(2-aminoethylamino)tetradecanoic acid
CID 173203671

Frequently Asked Questions

What is the IUPAC name of 15-(3-carboxyprop-2-enylamino)pentadecanoic acid?
The IUPAC name of 15-(3-carboxyprop-2-enylamino)pentadecanoic acid (CID 174048267) is 15-(3-carboxyprop-2-enylamino)pentadecanoic acid.
What is the SMILES notation for 15-(3-carboxyprop-2-enylamino)pentadecanoic acid?
The canonical SMILES for 15-(3-carboxyprop-2-enylamino)pentadecanoic acid is O=C(O)C=CCNCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 15-(3-carboxyprop-2-enylamino)pentadecanoic acid?
The InChIKey is DYSLPIYJPIIQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO4/c21-18(22)14-11-9-7-5-3-1-2-4-6-8-10-12-16-20-17-13-15-19(23)24/h13,15,20H,1-12,14,16-17H2,(H,21,22)(H,23,24).
What are the key properties of 15-(3-carboxyprop-2-enylamino)pentadecanoic acid?
15-(3-carboxyprop-2-enylamino)pentadecanoic acid has a molecular weight of 341.49 g/mol, XLogP of 4.37, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(3-carboxyprop-2-enylamino)pentadecanoic acid is sourced from PubChem (CID 174048267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).