ethyl 3-(propan-2-ylamino)cyclopentane-1-carboxylate

C11H21NO2 — CID 104628487

IUPACethyl 3-(propan-2-ylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(C)C)C1
InChIInChI=1S/C11H21NO2/c1-4-14-11(13)9-5-6-10(7-9)12-8(2)3/h8-10,12H,4-7H2,1-3H3
InChIKeyYXFDPPPNDUYOFW-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds4

About ethyl 3-(propan-2-ylamino)cyclopentane-1-carboxylate

ethyl 3-(propan-2-ylamino)cyclopentane-1-carboxylate (PubChem CID 104628487) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 3-(propan-2-ylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(propan-2-ylamino)cyclopentane-1-carboxylate
PubChem CID104628487
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 3-(propan-2-ylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(C)C)C1
InChIInChI=1S/C11H21NO2/c1-4-14-11(13)9-5-6-10(7-9)12-8(2)3/h8-10,12H,4-7H2,1-3H3
InChIKeyYXFDPPPNDUYOFW-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(propan-2-ylamino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-(propan-2-ylamino)cyclopentane-1-carboxylate (CID 104628487) is ethyl 3-(propan-2-ylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-(propan-2-ylamino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-(propan-2-ylamino)cyclopentane-1-carboxylate is CCOC(=O)C1CCC(NC(C)C)C1.
What is the InChIKey of ethyl 3-(propan-2-ylamino)cyclopentane-1-carboxylate?
The InChIKey is YXFDPPPNDUYOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-14-11(13)9-5-6-10(7-9)12-8(2)3/h8-10,12H,4-7H2,1-3H3.
What are the key properties of ethyl 3-(propan-2-ylamino)cyclopentane-1-carboxylate?
ethyl 3-(propan-2-ylamino)cyclopentane-1-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(propan-2-ylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 104628487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).