tert-butyl 2-[(2-amino-2-oxoethyl)-cyclopentylamino]propanoate

C14H26N2O3 — CID 64689159

IUPACtert-butyl 2-[(2-amino-2-oxoethyl)-cyclopentylamino]propanoate
SMILESCC(C(=O)OC(C)(C)C)N(CC(N)=O)C1CCCC1
InChIInChI=1S/C14H26N2O3/c1-10(13(18)19-14(2,3)4)16(9-12(15)17)11-7-5-6-8-11/h10-11H,5-9H2,1-4H3,(H2,15,17)
InChIKeySPRGNXVMEKRQBS-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.45
Rot. Bonds5

About tert-butyl 2-[(2-amino-2-oxoethyl)-cyclopentylamino]propanoate

tert-butyl 2-[(2-amino-2-oxoethyl)-cyclopentylamino]propanoate (PubChem CID 64689159) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 2-[(2-amino-2-oxoethyl)-cyclopentylamino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[(2-amino-2-oxoethyl)-cyclopentylamino]propanoate
PubChem CID64689159
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl 2-[(2-amino-2-oxoethyl)-cyclopentylamino]propanoate
SMILESCC(C(=O)OC(C)(C)C)N(CC(N)=O)C1CCCC1
InChIInChI=1S/C14H26N2O3/c1-10(13(18)19-14(2,3)4)16(9-12(15)17)11-7-5-6-8-11/h10-11H,5-9H2,1-4H3,(H2,15,17)
InChIKeySPRGNXVMEKRQBS-UHFFFAOYSA-N
XLogP1.45
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[cyclopentyl(2-hydroxyethyl)amino]propanoate
CID 66339425
tert-butyl 2-[cyclohexyl(2-hydroxyethyl)amino]propanoate
CID 66339424
tert-butyl 2-[cyclopropyl(ethyl)amino]propanoate
CID 64687370
tert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate
CID 66338147
tert-butyl 4-[(2-amino-2-oxoethyl)-cyclopentylamino]-4-oxobutanoate
CID 106707244
tert-butyl (2S)-2-[cyclohexyl(prop-2-enoyl)amino]propanoate
CID 70370984
(2S)-2-[cyclohexyl-[1-deuterio-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid
CID 139924342
tert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate
CID 64687774
tert-butyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoate
CID 64688568
tert-butyl 2-cyclopentylpropanoate
CID 142496420
tert-butyl N-carbamoyl-N-cyclopentylcarbamate
CID 141307871
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-methoxypropanamide
CID 47418493

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-amino-2-oxoethyl)-cyclopentylamino]propanoate?
The IUPAC name of tert-butyl 2-[(2-amino-2-oxoethyl)-cyclopentylamino]propanoate (CID 64689159) is tert-butyl 2-[(2-amino-2-oxoethyl)-cyclopentylamino]propanoate.
What is the SMILES notation for tert-butyl 2-[(2-amino-2-oxoethyl)-cyclopentylamino]propanoate?
The canonical SMILES for tert-butyl 2-[(2-amino-2-oxoethyl)-cyclopentylamino]propanoate is CC(C(=O)OC(C)(C)C)N(CC(N)=O)C1CCCC1.
What is the InChIKey of tert-butyl 2-[(2-amino-2-oxoethyl)-cyclopentylamino]propanoate?
The InChIKey is SPRGNXVMEKRQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(13(18)19-14(2,3)4)16(9-12(15)17)11-7-5-6-8-11/h10-11H,5-9H2,1-4H3,(H2,15,17).
What are the key properties of tert-butyl 2-[(2-amino-2-oxoethyl)-cyclopentylamino]propanoate?
tert-butyl 2-[(2-amino-2-oxoethyl)-cyclopentylamino]propanoate has a molecular weight of 270.37 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-amino-2-oxoethyl)-cyclopentylamino]propanoate is sourced from PubChem (CID 64689159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).