2-(2,6,10,14-tetramethylpentadecanoylamino)acetic acid

C21H41NO3 — CID 53481664

IUPAC2-(2,6,10,14-tetramethylpentadecanoylamino)acetic acid
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)NCC(=O)O
InChIInChI=1S/C21H41NO3/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)21(25)22-15-20(23)24/h16-19H,6-15H2,1-5H3,(H,22,25)(H,23,24)
InChIKeyILSMDNVBZYGMDG-UHFFFAOYSA-N
MW355.56 g/mol
LogP5.26
Rot. Bonds15

About 2-(2,6,10,14-tetramethylpentadecanoylamino)acetic acid

2-(2,6,10,14-tetramethylpentadecanoylamino)acetic acid (PubChem CID 53481664) has the molecular formula C21H41NO3 and a molecular weight of 355.56 g/mol. Its IUPAC name is 2-(2,6,10,14-tetramethylpentadecanoylamino)acetic acid.

Molecular Properties

Compound Name2-(2,6,10,14-tetramethylpentadecanoylamino)acetic acid
PubChem CID53481664
Molecular FormulaC21H41NO3
Molecular Weight355.56 g/mol
Exact Mass355.31
IUPAC Name2-(2,6,10,14-tetramethylpentadecanoylamino)acetic acid
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)NCC(=O)O
InChIInChI=1S/C21H41NO3/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)21(25)22-15-20(23)24/h16-19H,6-15H2,1-5H3,(H,22,25)(H,23,24)
InChIKeyILSMDNVBZYGMDG-UHFFFAOYSA-N
XLogP5.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.56
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2,6,10,14-tetramethylpentadecanoylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6,10,14-tetramethylpentadecanoylamino)acetic acid?
The IUPAC name of 2-(2,6,10,14-tetramethylpentadecanoylamino)acetic acid (CID 53481664) is 2-(2,6,10,14-tetramethylpentadecanoylamino)acetic acid.
What is the SMILES notation for 2-(2,6,10,14-tetramethylpentadecanoylamino)acetic acid?
The canonical SMILES for 2-(2,6,10,14-tetramethylpentadecanoylamino)acetic acid is CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)NCC(=O)O.
What is the InChIKey of 2-(2,6,10,14-tetramethylpentadecanoylamino)acetic acid?
The InChIKey is ILSMDNVBZYGMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO3/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)21(25)22-15-20(23)24/h16-19H,6-15H2,1-5H3,(H,22,25)(H,23,24).
What are the key properties of 2-(2,6,10,14-tetramethylpentadecanoylamino)acetic acid?
2-(2,6,10,14-tetramethylpentadecanoylamino)acetic acid has a molecular weight of 355.56 g/mol, XLogP of 5.26, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6,10,14-tetramethylpentadecanoylamino)acetic acid is sourced from PubChem (CID 53481664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).