2-[hexanoyl(methyl)amino]acetic acid

C9H17NO3 — CID 14129402

IUPAC2-[hexanoyl(methyl)amino]acetic acid
SMILESCCCCCC(=O)N(C)CC(=O)O
InChIInChI=1S/C9H17NO3/c1-3-4-5-6-8(11)10(2)7-9(12)13/h3-7H2,1-2H3,(H,12,13)
InChIKeyPCUKLZUNLZPYPY-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.11
Rot. Bonds6

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

2-[hexanoyl(methyl)amino]acetic acid (PubChem CID 14129402) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[hexanoyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[hexanoyl(methyl)amino]acetic acid
PubChem CID14129402
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-[hexanoyl(methyl)amino]acetic acid
SMILESCCCCCC(=O)N(C)CC(=O)O
InChIInChI=1S/C9H17NO3/c1-3-4-5-6-8(11)10(2)7-9(12)13/h3-7H2,1-2H3,(H,12,13)
InChIKeyPCUKLZUNLZPYPY-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.11
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-[hexanoyl(methyl)amino]acetic acid?
The IUPAC name of 2-[hexanoyl(methyl)amino]acetic acid (CID 14129402) is 2-[hexanoyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[hexanoyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[hexanoyl(methyl)amino]acetic acid is CCCCCC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[hexanoyl(methyl)amino]acetic acid?
The InChIKey is PCUKLZUNLZPYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-4-5-6-8(11)10(2)7-9(12)13/h3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-[hexanoyl(methyl)amino]acetic acid?
2-[hexanoyl(methyl)amino]acetic acid has a molecular weight of 187.24 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hexanoyl(methyl)amino]acetic acid is sourced from PubChem (CID 14129402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).