2-[dodecanoyl(prop-2-enyl)amino]acetic acid

C17H31NO3 — CID 79264275

IUPAC2-[dodecanoyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)CCCCCCCCCCC
InChIInChI=1S/C17H31NO3/c1-3-5-6-7-8-9-10-11-12-13-16(19)18(14-4-2)15-17(20)21/h4H,2-3,5-15H2,1H3,(H,20,21)
InChIKeyOIBLCOMMPYENRQ-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.01
Rot. Bonds14

About 2-[dodecanoyl(prop-2-enyl)amino]acetic acid

2-[dodecanoyl(prop-2-enyl)amino]acetic acid (PubChem CID 79264275) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-[dodecanoyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[dodecanoyl(prop-2-enyl)amino]acetic acid
PubChem CID79264275
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name2-[dodecanoyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)CCCCCCCCCCC
InChIInChI=1S/C17H31NO3/c1-3-5-6-7-8-9-10-11-12-13-16(19)18(14-4-2)15-17(20)21/h4H,2-3,5-15H2,1H3,(H,20,21)
InChIKeyOIBLCOMMPYENRQ-UHFFFAOYSA-N
XLogP4.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[butanoyl(prop-2-enyl)amino]acetic acid
CID 79257484
2-[carboxymethyl(octadecanoyl)amino]acetic acid
CID 13060866
azane;2-[carboxymethyl(dodecanoyl)amino]acetic acid
CID 173442043
2-[ethyl(pentadecanoyl)amino]acetic acid
CID 139609701
2-[ethyl(hexadecanoyl)amino]acetic acid
CID 86170642
2-[hexadecyl(nonanoyl)amino]acetic acid
CID 138918698
2-[octadecanoyl(pentyl)amino]acetic acid
CID 175340865
2-[propyl(tridecanoyl)amino]acetic acid
CID 139609682
2-[butyl(octadecanoyl)amino]acetic acid
CID 175340712
6-[bis(prop-2-enyl)amino]-6-oxohexanoic acid
CID 43529248
2-[2-methylpropyl(octanoyl)amino]acetic acid
CID 62032998
10-oxo-N,N-bis(prop-2-enyl)undecanamide
CID 170397182

Frequently Asked Questions

What is the IUPAC name of 2-[dodecanoyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[dodecanoyl(prop-2-enyl)amino]acetic acid (CID 79264275) is 2-[dodecanoyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[dodecanoyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[dodecanoyl(prop-2-enyl)amino]acetic acid is C=CCN(CC(=O)O)C(=O)CCCCCCCCCCC.
What is the InChIKey of 2-[dodecanoyl(prop-2-enyl)amino]acetic acid?
The InChIKey is OIBLCOMMPYENRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-3-5-6-7-8-9-10-11-12-13-16(19)18(14-4-2)15-17(20)21/h4H,2-3,5-15H2,1H3,(H,20,21).
What are the key properties of 2-[dodecanoyl(prop-2-enyl)amino]acetic acid?
2-[dodecanoyl(prop-2-enyl)amino]acetic acid has a molecular weight of 297.44 g/mol, XLogP of 4.01, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dodecanoyl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 79264275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).