ethyl 2-(cyclopentylamino)-2-methylbutanoate

C12H23NO2 — CID 60997455

IUPACethyl 2-(cyclopentylamino)-2-methylbutanoate
SMILESCCOC(=O)C(C)(CC)NC1CCCC1
InChIInChI=1S/C12H23NO2/c1-4-12(3,11(14)15-5-2)13-10-8-6-7-9-10/h10,13H,4-9H2,1-3H3
InChIKeyFZKBQZUEJGRKBO-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.25
Rot. Bonds5

About ethyl 2-(cyclopentylamino)-2-methylbutanoate

ethyl 2-(cyclopentylamino)-2-methylbutanoate (PubChem CID 60997455) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethyl 2-(cyclopentylamino)-2-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopentylamino)-2-methylbutanoate
PubChem CID60997455
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethyl 2-(cyclopentylamino)-2-methylbutanoate
SMILESCCOC(=O)C(C)(CC)NC1CCCC1
InChIInChI=1S/C12H23NO2/c1-4-12(3,11(14)15-5-2)13-10-8-6-7-9-10/h10,13H,4-9H2,1-3H3
InChIKeyFZKBQZUEJGRKBO-UHFFFAOYSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(cyclopentylamino)-2-methylpentanoate
CID 60997340
2-(cyclobutylamino)-2-methylbutanoic acid
CID 82239300
ethyl 4-cyclobutyloxy-2-(cyclopropylamino)-2-methylbutanoate
CID 62142000
ethyl 2-(cyclopentylamino)-2-phenylpropanoate
CID 54893875
ethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate
CID 60999013
ethyl 4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanoate
CID 64704947
ethyl 2-(cyclopentylamino)-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868165
ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate
CID 60998776
ethyl 2-(cyclopropylamino)-3-[3-(2-methoxyethoxy)propoxy]-2-methylpropanoate
CID 103404627
ethyl 2-(5-bromofuran-2-yl)-2-(cyclopentylamino)propanoate
CID 113437629
ethyl 2-(2-bromophenyl)-2-(cyclopentylamino)propanoate
CID 60998155
ethyl 2-(cyclopropylamino)-4-(dipropylamino)-2-methylpentanoate
CID 64726602

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopentylamino)-2-methylbutanoate?
The IUPAC name of ethyl 2-(cyclopentylamino)-2-methylbutanoate (CID 60997455) is ethyl 2-(cyclopentylamino)-2-methylbutanoate.
What is the SMILES notation for ethyl 2-(cyclopentylamino)-2-methylbutanoate?
The canonical SMILES for ethyl 2-(cyclopentylamino)-2-methylbutanoate is CCOC(=O)C(C)(CC)NC1CCCC1.
What is the InChIKey of ethyl 2-(cyclopentylamino)-2-methylbutanoate?
The InChIKey is FZKBQZUEJGRKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-12(3,11(14)15-5-2)13-10-8-6-7-9-10/h10,13H,4-9H2,1-3H3.
What are the key properties of ethyl 2-(cyclopentylamino)-2-methylbutanoate?
ethyl 2-(cyclopentylamino)-2-methylbutanoate has a molecular weight of 213.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopentylamino)-2-methylbutanoate is sourced from PubChem (CID 60997455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).