methyl 2-(cyclopentylamino)-2-(1,3-thiazol-2-yl)propanoate

C12H18N2O2S — CID 64991150

IUPACmethyl 2-(cyclopentylamino)-2-(1,3-thiazol-2-yl)propanoate
SMILESCOC(=O)C(C)(NC1CCCC1)c1nccs1
InChIInChI=1S/C12H18N2O2S/c1-12(11(15)16-2,10-13-7-8-17-10)14-9-5-3-4-6-9/h7-9,14H,3-6H2,1-2H3
InChIKeyGYCVYYIXCWVVFW-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.06
Rot. Bonds4

About methyl 2-(cyclopentylamino)-2-(1,3-thiazol-2-yl)propanoate

methyl 2-(cyclopentylamino)-2-(1,3-thiazol-2-yl)propanoate (PubChem CID 64991150) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is methyl 2-(cyclopentylamino)-2-(1,3-thiazol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopentylamino)-2-(1,3-thiazol-2-yl)propanoate
PubChem CID64991150
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Namemethyl 2-(cyclopentylamino)-2-(1,3-thiazol-2-yl)propanoate
SMILESCOC(=O)C(C)(NC1CCCC1)c1nccs1
InChIInChI=1S/C12H18N2O2S/c1-12(11(15)16-2,10-13-7-8-17-10)14-9-5-3-4-6-9/h7-9,14H,3-6H2,1-2H3
InChIKeyGYCVYYIXCWVVFW-UHFFFAOYSA-N
XLogP2.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopentylamino)-2-(1,3-thiazol-2-yl)propanoate?
The IUPAC name of methyl 2-(cyclopentylamino)-2-(1,3-thiazol-2-yl)propanoate (CID 64991150) is methyl 2-(cyclopentylamino)-2-(1,3-thiazol-2-yl)propanoate.
What is the SMILES notation for methyl 2-(cyclopentylamino)-2-(1,3-thiazol-2-yl)propanoate?
The canonical SMILES for methyl 2-(cyclopentylamino)-2-(1,3-thiazol-2-yl)propanoate is COC(=O)C(C)(NC1CCCC1)c1nccs1.
What is the InChIKey of methyl 2-(cyclopentylamino)-2-(1,3-thiazol-2-yl)propanoate?
The InChIKey is GYCVYYIXCWVVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-12(11(15)16-2,10-13-7-8-17-10)14-9-5-3-4-6-9/h7-9,14H,3-6H2,1-2H3.
What are the key properties of methyl 2-(cyclopentylamino)-2-(1,3-thiazol-2-yl)propanoate?
methyl 2-(cyclopentylamino)-2-(1,3-thiazol-2-yl)propanoate has a molecular weight of 254.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopentylamino)-2-(1,3-thiazol-2-yl)propanoate is sourced from PubChem (CID 64991150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).