2-[2-hydroxyethyl(4-oxopentadecyl)amino]acetic acid

C19H37NO4 — CID 58572256

IUPAC2-[2-hydroxyethyl(4-oxopentadecyl)amino]acetic acid
SMILESCCCCCCCCCCCC(=O)CCCN(CCO)CC(=O)O
InChIInChI=1S/C19H37NO4/c1-2-3-4-5-6-7-8-9-10-12-18(22)13-11-14-20(15-16-21)17-19(23)24/h21H,2-17H2,1H3,(H,23,24)
InChIKeyVOUKAOAVYJZAIP-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.64
Rot. Bonds18

About 2-[2-hydroxyethyl(4-oxopentadecyl)amino]acetic acid

2-[2-hydroxyethyl(4-oxopentadecyl)amino]acetic acid (PubChem CID 58572256) has the molecular formula C19H37NO4 and a molecular weight of 343.51 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(4-oxopentadecyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-hydroxyethyl(4-oxopentadecyl)amino]acetic acid
PubChem CID58572256
Molecular FormulaC19H37NO4
Molecular Weight343.51 g/mol
Exact Mass343.27
IUPAC Name2-[2-hydroxyethyl(4-oxopentadecyl)amino]acetic acid
SMILESCCCCCCCCCCCC(=O)CCCN(CCO)CC(=O)O
InChIInChI=1S/C19H37NO4/c1-2-3-4-5-6-7-8-9-10-12-18(22)13-11-14-20(15-16-21)17-19(23)24/h21H,2-17H2,1H3,(H,23,24)
InChIKeyVOUKAOAVYJZAIP-UHFFFAOYSA-N
XLogP3.64
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.64
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

1-[ethyl(2-hydroxyethyl)amino]tridecan-7-one
CID 171836778
2-[di(pentadecyl)amino]acetic acid
CID 101313622
hexadecanoic acid;2-[2-hydroxyethyl(tetracosyl)amino]ethanol
CID 90146253
2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid
CID 158492988
2-[heptadecyl(2-hydroxyethyl)amino]ethanol;octadecanoic acid
CID 90146098
docosanoic acid;2-[2-hydroxyethyl(tetradecyl)amino]ethanol
CID 158369485
azanium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid
CID 23173744
sodium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid
CID 22359060
2-[propyl(undecyl)amino]acetic acid
CID 146831092
sodium;2-[2-(hexadecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid;hydride
CID 173090653
2-[carboxymethyl(hexyl)amino]acetic acid
CID 23422372
1-[2-hydroxyethyl(6-nonoxyhexyl)amino]hexadecan-8-one
CID 170754920

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(4-oxopentadecyl)amino]acetic acid?
The IUPAC name of 2-[2-hydroxyethyl(4-oxopentadecyl)amino]acetic acid (CID 58572256) is 2-[2-hydroxyethyl(4-oxopentadecyl)amino]acetic acid.
What is the SMILES notation for 2-[2-hydroxyethyl(4-oxopentadecyl)amino]acetic acid?
The canonical SMILES for 2-[2-hydroxyethyl(4-oxopentadecyl)amino]acetic acid is CCCCCCCCCCCC(=O)CCCN(CCO)CC(=O)O.
What is the InChIKey of 2-[2-hydroxyethyl(4-oxopentadecyl)amino]acetic acid?
The InChIKey is VOUKAOAVYJZAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO4/c1-2-3-4-5-6-7-8-9-10-12-18(22)13-11-14-20(15-16-21)17-19(23)24/h21H,2-17H2,1H3,(H,23,24).
What are the key properties of 2-[2-hydroxyethyl(4-oxopentadecyl)amino]acetic acid?
2-[2-hydroxyethyl(4-oxopentadecyl)amino]acetic acid has a molecular weight of 343.51 g/mol, XLogP of 3.64, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(4-oxopentadecyl)amino]acetic acid is sourced from PubChem (CID 58572256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).