tetradecyl 3-amino-2-iminopropanoate

C17H34N2O2 — CID 90710593

IUPACtetradecyl 3-amino-2-iminopropanoate
SMILES[H]/N=C(\CN)C(=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C17H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-17(20)16(19)15-18/h19H,2-15,18H2,1H3/b19-16+
InChIKeyZQHPLBYNZFQQSY-KNTRCKAVSA-N
MW298.47 g/mol
LogP4.21
Rot. Bonds15

About tetradecyl 3-amino-2-iminopropanoate

tetradecyl 3-amino-2-iminopropanoate (PubChem CID 90710593) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tetradecyl 3-amino-2-iminopropanoate.

Molecular Properties

Compound Nametetradecyl 3-amino-2-iminopropanoate
PubChem CID90710593
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametetradecyl 3-amino-2-iminopropanoate
SMILES[H]/N=C(\CN)C(=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C17H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-17(20)16(19)15-18/h19H,2-15,18H2,1H3/b19-16+
InChIKeyZQHPLBYNZFQQSY-KNTRCKAVSA-N
XLogP4.21
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

heptyl 2-iminopropanoate
CID 174678170
ditridecyl oxalate
CID 18377796
dioctyl 2,3-dimethylbut-2-enedioate
CID 173381299
tetradecyl 2-chloroprop-2-enoate
CID 54118378
potassium 2-nonoxy-2-oxoacetate
CID 102118471
dioctyl 2,3-dimethylidenebutanedioate
CID 140613144
1-O-decyl 4-O-octyl 2,3-dimethylidenebutanedioate
CID 139708320
dipentyl (Z)-2,3-dimethylbut-2-enedioate
CID 175563283
nonadecyl carbonochloridate
CID 20513602
henicosyl carbonochloridate
CID 14150828
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
dioctyl (Z)-2,3-dibutylbut-2-enedioate
CID 87922304

Frequently Asked Questions

What is the IUPAC name of tetradecyl 3-amino-2-iminopropanoate?
The IUPAC name of tetradecyl 3-amino-2-iminopropanoate (CID 90710593) is tetradecyl 3-amino-2-iminopropanoate.
What is the SMILES notation for tetradecyl 3-amino-2-iminopropanoate?
The canonical SMILES for tetradecyl 3-amino-2-iminopropanoate is [H]/N=C(\CN)C(=O)OCCCCCCCCCCCCCC.
What is the InChIKey of tetradecyl 3-amino-2-iminopropanoate?
The InChIKey is ZQHPLBYNZFQQSY-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-17(20)16(19)15-18/h19H,2-15,18H2,1H3/b19-16+.
What are the key properties of tetradecyl 3-amino-2-iminopropanoate?
tetradecyl 3-amino-2-iminopropanoate has a molecular weight of 298.47 g/mol, XLogP of 4.21, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 3-amino-2-iminopropanoate is sourced from PubChem (CID 90710593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).