2-[(2-oxo-2-propoxyethyl)amino]tetradecanoic acid

C19H37NO4 — CID 151028201

IUPAC2-[(2-oxo-2-propoxyethyl)amino]tetradecanoic acid
SMILESCCCCCCCCCCCCC(NCC(=O)OCCC)C(=O)O
InChIInChI=1S/C19H37NO4/c1-3-5-6-7-8-9-10-11-12-13-14-17(19(22)23)20-16-18(21)24-15-4-2/h17,20H,3-16H2,1-2H3,(H,22,23)
InChIKeyLZMLXSPDUJUUDB-UHFFFAOYSA-N
MW343.51 g/mol
LogP4.29
Rot. Bonds17

About 2-[(2-oxo-2-propoxyethyl)amino]tetradecanoic acid

2-[(2-oxo-2-propoxyethyl)amino]tetradecanoic acid (PubChem CID 151028201) has the molecular formula C19H37NO4 and a molecular weight of 343.51 g/mol. Its IUPAC name is 2-[(2-oxo-2-propoxyethyl)amino]tetradecanoic acid.

Molecular Properties

Compound Name2-[(2-oxo-2-propoxyethyl)amino]tetradecanoic acid
PubChem CID151028201
Molecular FormulaC19H37NO4
Molecular Weight343.51 g/mol
Exact Mass343.27
IUPAC Name2-[(2-oxo-2-propoxyethyl)amino]tetradecanoic acid
SMILESCCCCCCCCCCCCC(NCC(=O)OCCC)C(=O)O
InChIInChI=1S/C19H37NO4/c1-3-5-6-7-8-9-10-11-12-13-14-17(19(22)23)20-16-18(21)24-15-4-2/h17,20H,3-16H2,1-2H3,(H,22,23)
InChIKeyLZMLXSPDUJUUDB-UHFFFAOYSA-N
XLogP4.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methoxy-2-oxoethyl)amino]hexanoic acid
CID 103231211
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299
2-(propylamino)tetradecanoic acid
CID 54527307
2-(pentylamino)octanoic acid
CID 129188286
propyl 2-(methylamino)hexadecanoate
CID 174448846
6-amino-2-(hexylamino)hexanoic acid
CID 87424914
2-(butoxycarbonylamino)octanoic acid
CID 87548518
(2S)-6-amino-2-(octylamino)hexanoic acid
CID 88516426
2-(dodecylamino)hexanoic acid
CID 139637216
(2S)-2-hydrazinylheptanoic acid
CID 118266927
pentyl 2-(propan-2-ylamino)acetate
CID 61304310
methyl octanoate;2-methyloctanoic acid
CID 160970117

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-2-propoxyethyl)amino]tetradecanoic acid?
The IUPAC name of 2-[(2-oxo-2-propoxyethyl)amino]tetradecanoic acid (CID 151028201) is 2-[(2-oxo-2-propoxyethyl)amino]tetradecanoic acid.
What is the SMILES notation for 2-[(2-oxo-2-propoxyethyl)amino]tetradecanoic acid?
The canonical SMILES for 2-[(2-oxo-2-propoxyethyl)amino]tetradecanoic acid is CCCCCCCCCCCCC(NCC(=O)OCCC)C(=O)O.
What is the InChIKey of 2-[(2-oxo-2-propoxyethyl)amino]tetradecanoic acid?
The InChIKey is LZMLXSPDUJUUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO4/c1-3-5-6-7-8-9-10-11-12-13-14-17(19(22)23)20-16-18(21)24-15-4-2/h17,20H,3-16H2,1-2H3,(H,22,23).
What are the key properties of 2-[(2-oxo-2-propoxyethyl)amino]tetradecanoic acid?
2-[(2-oxo-2-propoxyethyl)amino]tetradecanoic acid has a molecular weight of 343.51 g/mol, XLogP of 4.29, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-2-propoxyethyl)amino]tetradecanoic acid is sourced from PubChem (CID 151028201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).