ethyl 2-(cyclopentylamino)-2-[1-(3-hydroxypropyl)triazol-4-yl]acetate

C14H24N4O3 — CID 66268034

IUPACethyl 2-(cyclopentylamino)-2-[1-(3-hydroxypropyl)triazol-4-yl]acetate
SMILESCCOC(=O)C(NC1CCCC1)c1cn(CCCO)nn1
InChIInChI=1S/C14H24N4O3/c1-2-21-14(20)13(15-11-6-3-4-7-11)12-10-18(17-16-12)8-5-9-19/h10-11,13,15,19H,2-9H2,1H3
InChIKeyYNFPKAHUUNKJRX-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.80
Rot. Bonds8

About ethyl 2-(cyclopentylamino)-2-[1-(3-hydroxypropyl)triazol-4-yl]acetate

ethyl 2-(cyclopentylamino)-2-[1-(3-hydroxypropyl)triazol-4-yl]acetate (PubChem CID 66268034) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 2-(cyclopentylamino)-2-[1-(3-hydroxypropyl)triazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-(cyclopentylamino)-2-[1-(3-hydroxypropyl)triazol-4-yl]acetate
PubChem CID66268034
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Nameethyl 2-(cyclopentylamino)-2-[1-(3-hydroxypropyl)triazol-4-yl]acetate
SMILESCCOC(=O)C(NC1CCCC1)c1cn(CCCO)nn1
InChIInChI=1S/C14H24N4O3/c1-2-21-14(20)13(15-11-6-3-4-7-11)12-10-18(17-16-12)8-5-9-19/h10-11,13,15,19H,2-9H2,1H3
InChIKeyYNFPKAHUUNKJRX-UHFFFAOYSA-N
XLogP0.80
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopentylamino)-2-[1-(3-hydroxypropyl)triazol-4-yl]acetate?
The IUPAC name of ethyl 2-(cyclopentylamino)-2-[1-(3-hydroxypropyl)triazol-4-yl]acetate (CID 66268034) is ethyl 2-(cyclopentylamino)-2-[1-(3-hydroxypropyl)triazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-(cyclopentylamino)-2-[1-(3-hydroxypropyl)triazol-4-yl]acetate?
The canonical SMILES for ethyl 2-(cyclopentylamino)-2-[1-(3-hydroxypropyl)triazol-4-yl]acetate is CCOC(=O)C(NC1CCCC1)c1cn(CCCO)nn1.
What is the InChIKey of ethyl 2-(cyclopentylamino)-2-[1-(3-hydroxypropyl)triazol-4-yl]acetate?
The InChIKey is YNFPKAHUUNKJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-2-21-14(20)13(15-11-6-3-4-7-11)12-10-18(17-16-12)8-5-9-19/h10-11,13,15,19H,2-9H2,1H3.
What are the key properties of ethyl 2-(cyclopentylamino)-2-[1-(3-hydroxypropyl)triazol-4-yl]acetate?
ethyl 2-(cyclopentylamino)-2-[1-(3-hydroxypropyl)triazol-4-yl]acetate has a molecular weight of 296.37 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopentylamino)-2-[1-(3-hydroxypropyl)triazol-4-yl]acetate is sourced from PubChem (CID 66268034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).