2-(4-propan-2-yltriazol-1-yl)ethyl 3-(propan-2-ylamino)propanoate

C13H24N4O2 — CID 153419917

IUPAC2-(4-propan-2-yltriazol-1-yl)ethyl 3-(propan-2-ylamino)propanoate
SMILESCC(C)NCCC(=O)OCCn1cc(C(C)C)nn1
InChIInChI=1S/C13H24N4O2/c1-10(2)12-9-17(16-15-12)7-8-19-13(18)5-6-14-11(3)4/h9-11,14H,5-8H2,1-4H3
InChIKeyZXRATHVDWMQICD-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.33
Rot. Bonds8

About 2-(4-propan-2-yltriazol-1-yl)ethyl 3-(propan-2-ylamino)propanoate

2-(4-propan-2-yltriazol-1-yl)ethyl 3-(propan-2-ylamino)propanoate (PubChem CID 153419917) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(4-propan-2-yltriazol-1-yl)ethyl 3-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Name2-(4-propan-2-yltriazol-1-yl)ethyl 3-(propan-2-ylamino)propanoate
PubChem CID153419917
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-(4-propan-2-yltriazol-1-yl)ethyl 3-(propan-2-ylamino)propanoate
SMILESCC(C)NCCC(=O)OCCn1cc(C(C)C)nn1
InChIInChI=1S/C13H24N4O2/c1-10(2)12-9-17(16-15-12)7-8-19-13(18)5-6-14-11(3)4/h9-11,14H,5-8H2,1-4H3
InChIKeyZXRATHVDWMQICD-UHFFFAOYSA-N
XLogP1.33
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yltriazol-1-yl)ethyl 3-(propan-2-ylamino)propanoate?
The IUPAC name of 2-(4-propan-2-yltriazol-1-yl)ethyl 3-(propan-2-ylamino)propanoate (CID 153419917) is 2-(4-propan-2-yltriazol-1-yl)ethyl 3-(propan-2-ylamino)propanoate.
What is the SMILES notation for 2-(4-propan-2-yltriazol-1-yl)ethyl 3-(propan-2-ylamino)propanoate?
The canonical SMILES for 2-(4-propan-2-yltriazol-1-yl)ethyl 3-(propan-2-ylamino)propanoate is CC(C)NCCC(=O)OCCn1cc(C(C)C)nn1.
What is the InChIKey of 2-(4-propan-2-yltriazol-1-yl)ethyl 3-(propan-2-ylamino)propanoate?
The InChIKey is ZXRATHVDWMQICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-10(2)12-9-17(16-15-12)7-8-19-13(18)5-6-14-11(3)4/h9-11,14H,5-8H2,1-4H3.
What are the key properties of 2-(4-propan-2-yltriazol-1-yl)ethyl 3-(propan-2-ylamino)propanoate?
2-(4-propan-2-yltriazol-1-yl)ethyl 3-(propan-2-ylamino)propanoate has a molecular weight of 268.36 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yltriazol-1-yl)ethyl 3-(propan-2-ylamino)propanoate is sourced from PubChem (CID 153419917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).