methyl 2-(cyclopentylamino)propanoate

C9H17NO2 — CID 60780566

IUPACmethyl 2-(cyclopentylamino)propanoate
SMILESCOC(=O)C(C)NC1CCCC1
InChIInChI=1S/C9H17NO2/c1-7(9(11)12-2)10-8-5-3-4-6-8/h7-8,10H,3-6H2,1-2H3
InChIKeyPNGQCYWJBSUECY-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds3

About methyl 2-(cyclopentylamino)propanoate

methyl 2-(cyclopentylamino)propanoate (PubChem CID 60780566) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 2-(cyclopentylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopentylamino)propanoate
PubChem CID60780566
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 2-(cyclopentylamino)propanoate
SMILESCOC(=O)C(C)NC1CCCC1
InChIInChI=1S/C9H17NO2/c1-7(9(11)12-2)10-8-5-3-4-6-8/h7-8,10H,3-6H2,1-2H3
InChIKeyPNGQCYWJBSUECY-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopentylamino)propanoate?
The IUPAC name of methyl 2-(cyclopentylamino)propanoate (CID 60780566) is methyl 2-(cyclopentylamino)propanoate.
What is the SMILES notation for methyl 2-(cyclopentylamino)propanoate?
The canonical SMILES for methyl 2-(cyclopentylamino)propanoate is COC(=O)C(C)NC1CCCC1.
What is the InChIKey of methyl 2-(cyclopentylamino)propanoate?
The InChIKey is PNGQCYWJBSUECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(9(11)12-2)10-8-5-3-4-6-8/h7-8,10H,3-6H2,1-2H3.
What are the key properties of methyl 2-(cyclopentylamino)propanoate?
methyl 2-(cyclopentylamino)propanoate has a molecular weight of 171.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopentylamino)propanoate is sourced from PubChem (CID 60780566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).