2-[(3-hydroxy-15-methylhexadecanoyl)amino]acetic acid

C19H37NO4 — CID 10807342

IUPAC2-[(3-hydroxy-15-methylhexadecanoyl)amino]acetic acid
SMILESCC(C)CCCCCCCCCCCC(O)CC(=O)NCC(=O)O
InChIInChI=1S/C19H37NO4/c1-16(2)12-10-8-6-4-3-5-7-9-11-13-17(21)14-18(22)20-15-19(23)24/h16-17,21H,3-15H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyROADDMALLLSXMM-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.89
Rot. Bonds16

About 2-[(3-hydroxy-15-methylhexadecanoyl)amino]acetic acid

2-[(3-hydroxy-15-methylhexadecanoyl)amino]acetic acid (PubChem CID 10807342) has the molecular formula C19H37NO4 and a molecular weight of 343.51 g/mol. Its IUPAC name is 2-[(3-hydroxy-15-methylhexadecanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-15-methylhexadecanoyl)amino]acetic acid
PubChem CID10807342
Molecular FormulaC19H37NO4
Molecular Weight343.51 g/mol
Exact Mass343.27
IUPAC Name2-[(3-hydroxy-15-methylhexadecanoyl)amino]acetic acid
SMILESCC(C)CCCCCCCCCCCC(O)CC(=O)NCC(=O)O
InChIInChI=1S/C19H37NO4/c1-16(2)12-10-8-6-4-3-5-7-9-11-13-17(21)14-18(22)20-15-19(23)24/h16-17,21H,3-15H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyROADDMALLLSXMM-UHFFFAOYSA-N
XLogP3.89
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(3-hydroxy-15-methylhexadecanoyl)amino]acetic acid?
The IUPAC name of 2-[(3-hydroxy-15-methylhexadecanoyl)amino]acetic acid (CID 10807342) is 2-[(3-hydroxy-15-methylhexadecanoyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-hydroxy-15-methylhexadecanoyl)amino]acetic acid?
The canonical SMILES for 2-[(3-hydroxy-15-methylhexadecanoyl)amino]acetic acid is CC(C)CCCCCCCCCCCC(O)CC(=O)NCC(=O)O.
What is the InChIKey of 2-[(3-hydroxy-15-methylhexadecanoyl)amino]acetic acid?
The InChIKey is ROADDMALLLSXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO4/c1-16(2)12-10-8-6-4-3-5-7-9-11-13-17(21)14-18(22)20-15-19(23)24/h16-17,21H,3-15H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 2-[(3-hydroxy-15-methylhexadecanoyl)amino]acetic acid?
2-[(3-hydroxy-15-methylhexadecanoyl)amino]acetic acid has a molecular weight of 343.51 g/mol, XLogP of 3.89, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-15-methylhexadecanoyl)amino]acetic acid is sourced from PubChem (CID 10807342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).