2-(tridecanoylamino)acetic acid

C15H29NO3 — CID 45357453

IUPAC2-(tridecanoylamino)acetic acid
SMILESCCCCCCCCCCCCC(=O)NCC(=O)O
InChIInChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-9-10-11-12-14(17)16-13-15(18)19/h2-13H2,1H3,(H,16,17)(H,18,19)
InChIKeyBTHNNPTZHGZNAO-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.50
Rot. Bonds13

About 2-(tridecanoylamino)acetic acid

2-(tridecanoylamino)acetic acid (PubChem CID 45357453) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(tridecanoylamino)acetic acid.

Molecular Properties

Compound Name2-(tridecanoylamino)acetic acid
PubChem CID45357453
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name2-(tridecanoylamino)acetic acid
SMILESCCCCCCCCCCCCC(=O)NCC(=O)O
InChIInChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-9-10-11-12-14(17)16-13-15(18)19/h2-13H2,1H3,(H,16,17)(H,18,19)
InChIKeyBTHNNPTZHGZNAO-UHFFFAOYSA-N
XLogP3.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Lauroylsarcosine
CID 7348
N-Palmitoylglycine
CID 151008
Capryloyl Glycine
CID 84290
Hexanoylglycine
CID 99463
Lauric acid monoethanolamide
CID 8899
Lauramidopropylbetaine
CID 20280
Myristoyl Sarcosine
CID 104234
Babassuamide monoethanolamide
CID 559169
Stearoyl Sarcosine
CID 67339
N-Myristoylglycine
CID 72348
Suberylglycine
CID 6453952
Pendecamaine
CID 72096

Frequently Asked Questions

What is the IUPAC name of 2-(tridecanoylamino)acetic acid?
The IUPAC name of 2-(tridecanoylamino)acetic acid (CID 45357453) is 2-(tridecanoylamino)acetic acid.
What is the SMILES notation for 2-(tridecanoylamino)acetic acid?
The canonical SMILES for 2-(tridecanoylamino)acetic acid is CCCCCCCCCCCCC(=O)NCC(=O)O.
What is the InChIKey of 2-(tridecanoylamino)acetic acid?
The InChIKey is BTHNNPTZHGZNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-9-10-11-12-14(17)16-13-15(18)19/h2-13H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(tridecanoylamino)acetic acid?
2-(tridecanoylamino)acetic acid has a molecular weight of 271.40 g/mol, XLogP of 3.50, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tridecanoylamino)acetic acid is sourced from PubChem (CID 45357453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).