2-[methyl(nonadecanoyl)amino]acetic acid

C22H43NO3 — CID 13318293

IUPAC2-[methyl(nonadecanoyl)amino]acetic acid
SMILESCCCCCCCCCCCCCCCCCCC(=O)N(C)CC(=O)O
InChIInChI=1S/C22H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23(2)20-22(25)26/h3-20H2,1-2H3,(H,25,26)
InChIKeyQXRRXZJIWYURPY-UHFFFAOYSA-N
MW369.59 g/mol
LogP6.18
Rot. Bonds19

About 2-[methyl(nonadecanoyl)amino]acetic acid

2-[methyl(nonadecanoyl)amino]acetic acid (PubChem CID 13318293) has the molecular formula C22H43NO3 and a molecular weight of 369.59 g/mol. Its IUPAC name is 2-[methyl(nonadecanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(nonadecanoyl)amino]acetic acid
PubChem CID13318293
Molecular FormulaC22H43NO3
Molecular Weight369.59 g/mol
Exact Mass369.32
IUPAC Name2-[methyl(nonadecanoyl)amino]acetic acid
SMILESCCCCCCCCCCCCCCCCCCC(=O)N(C)CC(=O)O
InChIInChI=1S/C22H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23(2)20-22(25)26/h3-20H2,1-2H3,(H,25,26)
InChIKeyQXRRXZJIWYURPY-UHFFFAOYSA-N
XLogP6.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.59
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

potassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride
CID 174463731
2-[[(Z)-docos-13-enoyl]-methylamino]acetic acid
CID 109374190
2-aminoethanol;2-[dodecanoyl(methyl)amino]acetic acid
CID 175329746
2-[methyl(octadec-11-enoyl)amino]acetic acid
CID 175197754
2-[[(E)-hexadec-8-enoyl]-methylamino]acetic acid
CID 20606581
2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid;zinc
CID 158929177
1-[bis(1-hydroxyethyl)amino]ethanol;2-[methyl(tetradecanoyl)amino]acetic acid
CID 170168150
2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid;octadecan-1-amine
CID 174638306
2-[6-fluorohexanoyl(methyl)amino]acetic acid
CID 101279688
2-(methylamino)acetic acid;2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid
CID 88510322
2-[carboxymethyl(octadecanoyl)amino]acetic acid
CID 13060866
calcium bis(2-[methyl(tetradecanoyl)amino]acetate)
CID 168911681

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(nonadecanoyl)amino]acetic acid?
The IUPAC name of 2-[methyl(nonadecanoyl)amino]acetic acid (CID 13318293) is 2-[methyl(nonadecanoyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(nonadecanoyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(nonadecanoyl)amino]acetic acid is CCCCCCCCCCCCCCCCCCC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl(nonadecanoyl)amino]acetic acid?
The InChIKey is QXRRXZJIWYURPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23(2)20-22(25)26/h3-20H2,1-2H3,(H,25,26).
What are the key properties of 2-[methyl(nonadecanoyl)amino]acetic acid?
2-[methyl(nonadecanoyl)amino]acetic acid has a molecular weight of 369.59 g/mol, XLogP of 6.18, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(nonadecanoyl)amino]acetic acid is sourced from PubChem (CID 13318293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).