2-(dodecanoylamino)ethyl 2-aminoacetate

C16H32N2O3 — CID 166463267

IUPAC2-(dodecanoylamino)ethyl 2-aminoacetate
SMILESCCCCCCCCCCCC(=O)NCCOC(=O)CN
InChIInChI=1S/C16H32N2O3/c1-2-3-4-5-6-7-8-9-10-11-15(19)18-12-13-21-16(20)14-17/h2-14,17H2,1H3,(H,18,19)
InChIKeyOUONUUKGZOIFTF-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.53
Rot. Bonds14

About 2-(dodecanoylamino)ethyl 2-aminoacetate

2-(dodecanoylamino)ethyl 2-aminoacetate (PubChem CID 166463267) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2-(dodecanoylamino)ethyl 2-aminoacetate.

Molecular Properties

Compound Name2-(dodecanoylamino)ethyl 2-aminoacetate
PubChem CID166463267
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name2-(dodecanoylamino)ethyl 2-aminoacetate
SMILESCCCCCCCCCCCC(=O)NCCOC(=O)CN
InChIInChI=1S/C16H32N2O3/c1-2-3-4-5-6-7-8-9-10-11-15(19)18-12-13-21-16(20)14-17/h2-14,17H2,1H3,(H,18,19)
InChIKeyOUONUUKGZOIFTF-UHFFFAOYSA-N
XLogP2.53
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dodecyl 3-(octanoylamino)propanoate
CID 91714455
[6-oxo-6-(propylamino)hexyl] octanoate
CID 157347257
[4-(octylamino)-4-oxobutyl] octadecanoate
CID 153438746
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
N-(2-aminoethyl)nonanamide
CID 13028008
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
ethyl 2-[2-(hexadecanoylamino)ethoxycarbonylamino]acetate
CID 22560977
butyl 6-[6-(6-aminohexanoylamino)hexanoylamino]hexanoate
CID 11258474
N-(3-aminooxypropyl)hexadecanamide
CID 88573336
2-(hexadecanoylamino)ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
CID 139440442
4-O-[(2R)-2,3-di(butanoyloxy)propyl] 1-O-[2-(hexadecanoylamino)ethyl] butanedioate
CID 134439722
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556

Frequently Asked Questions

What is the IUPAC name of 2-(dodecanoylamino)ethyl 2-aminoacetate?
The IUPAC name of 2-(dodecanoylamino)ethyl 2-aminoacetate (CID 166463267) is 2-(dodecanoylamino)ethyl 2-aminoacetate.
What is the SMILES notation for 2-(dodecanoylamino)ethyl 2-aminoacetate?
The canonical SMILES for 2-(dodecanoylamino)ethyl 2-aminoacetate is CCCCCCCCCCCC(=O)NCCOC(=O)CN.
What is the InChIKey of 2-(dodecanoylamino)ethyl 2-aminoacetate?
The InChIKey is OUONUUKGZOIFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-2-3-4-5-6-7-8-9-10-11-15(19)18-12-13-21-16(20)14-17/h2-14,17H2,1H3,(H,18,19).
What are the key properties of 2-(dodecanoylamino)ethyl 2-aminoacetate?
2-(dodecanoylamino)ethyl 2-aminoacetate has a molecular weight of 300.44 g/mol, XLogP of 2.53, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dodecanoylamino)ethyl 2-aminoacetate is sourced from PubChem (CID 166463267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).