2-aminoacetic acid;propan-2-yl tetradecanoate

C19H39NO4 — CID 163457467

IUPAC2-aminoacetic acid;propan-2-yl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC(C)C.NCC(=O)O
InChIInChI=1S/C17H34O2.C2H5NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3;3-1-2(4)5/h16H,4-15H2,1-3H3;1,3H2,(H,4,5)
InChIKeyBLRUBMJKWLKNMW-UHFFFAOYSA-N
MW345.52 g/mol
LogP4.67
Rot. Bonds14

About 2-aminoacetic acid;propan-2-yl tetradecanoate

2-aminoacetic acid;propan-2-yl tetradecanoate (PubChem CID 163457467) has the molecular formula C19H39NO4 and a molecular weight of 345.52 g/mol. Its IUPAC name is 2-aminoacetic acid;propan-2-yl tetradecanoate.

Molecular Properties

Compound Name2-aminoacetic acid;propan-2-yl tetradecanoate
PubChem CID163457467
Molecular FormulaC19H39NO4
Molecular Weight345.52 g/mol
Exact Mass345.29
IUPAC Name2-aminoacetic acid;propan-2-yl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC(C)C.NCC(=O)O
InChIInChI=1S/C17H34O2.C2H5NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3;3-1-2(4)5/h16H,4-15H2,1-3H3;1,3H2,(H,4,5)
InChIKeyBLRUBMJKWLKNMW-UHFFFAOYSA-N
XLogP4.67
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 54.67
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

hexadecanoic acid;propan-2-yl octadecanoate
CID 88712147
propan-2-yl undecanoate
CID 3016538
propan-2-yl dodecanoate;titanium(2+)
CID 18314327
hexadecyl hexadecanoate;propan-2-yl hexadecanoate
CID 160751215
dodecan-1-ol;propan-2-yl tetradecanoate
CID 88656625
methyl hexadecanoate;propan-2-yl hexadecanoate
CID 157210110
propan-2-yl 7-methyloctanoate;tetradecanoic acid
CID 174998882
10-oxo-10-propan-2-yloxydecanoic acid
CID 10131064
1-O-heptadecyl 5-O-propan-2-yl pentanedioate
CID 91705493
propan-2-yl (Z)-tetradec-6-enoate
CID 139925977
1-aminoethyl decanoate
CID 87547112
2-propan-2-ylhexadecanoic acid;propan-2-yl tetradecanoate
CID 158143433

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;propan-2-yl tetradecanoate?
The IUPAC name of 2-aminoacetic acid;propan-2-yl tetradecanoate (CID 163457467) is 2-aminoacetic acid;propan-2-yl tetradecanoate.
What is the SMILES notation for 2-aminoacetic acid;propan-2-yl tetradecanoate?
The canonical SMILES for 2-aminoacetic acid;propan-2-yl tetradecanoate is CCCCCCCCCCCCCC(=O)OC(C)C.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;propan-2-yl tetradecanoate?
The InChIKey is BLRUBMJKWLKNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2.C2H5NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3;3-1-2(4)5/h16H,4-15H2,1-3H3;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;propan-2-yl tetradecanoate?
2-aminoacetic acid;propan-2-yl tetradecanoate has a molecular weight of 345.52 g/mol, XLogP of 4.67, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;propan-2-yl tetradecanoate is sourced from PubChem (CID 163457467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).