2-[dodecanoyl(methyl)amino]acetic acid

C15H29NO3 — CID 7348

IUPAC2-[dodecanoyl(methyl)amino]acetic acid
SMILESCCCCCCCCCCCC(=O)N(C)CC(=O)O
InChIInChI=1S/C15H29NO3/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19/h3-13H2,1-2H3,(H,18,19)
InChIKeyBACYUWVYYTXETD-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.45
Rot. Bonds12

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

2-[dodecanoyl(methyl)amino]acetic acid (PubChem CID 7348) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[dodecanoyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[dodecanoyl(methyl)amino]acetic acid
PubChem CID7348
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name2-[dodecanoyl(methyl)amino]acetic acid
SMILESCCCCCCCCCCCC(=O)N(C)CC(=O)O
InChIInChI=1S/C15H29NO3/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19/h3-13H2,1-2H3,(H,18,19)
InChIKeyBACYUWVYYTXETD-UHFFFAOYSA-N
XLogP3.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.45
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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Frequently Asked Questions

What is the IUPAC name of 2-[dodecanoyl(methyl)amino]acetic acid?
The IUPAC name of 2-[dodecanoyl(methyl)amino]acetic acid (CID 7348) is 2-[dodecanoyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[dodecanoyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[dodecanoyl(methyl)amino]acetic acid is CCCCCCCCCCCC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[dodecanoyl(methyl)amino]acetic acid?
The InChIKey is BACYUWVYYTXETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19/h3-13H2,1-2H3,(H,18,19).
What are the key properties of 2-[dodecanoyl(methyl)amino]acetic acid?
2-[dodecanoyl(methyl)amino]acetic acid has a molecular weight of 271.40 g/mol, XLogP of 3.45, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dodecanoyl(methyl)amino]acetic acid is sourced from PubChem (CID 7348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).