tert-butyl N-[2-[(3-formylcyclopentyl)amino]-2-oxoethyl]carbamate

C13H22N2O4 — CID 141436704

IUPACtert-butyl N-[2-[(3-formylcyclopentyl)amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NC1CCC(C=O)C1
InChIInChI=1S/C13H22N2O4/c1-13(2,3)19-12(18)14-7-11(17)15-10-5-4-9(6-10)8-16/h8-10H,4-7H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyTZSJFBBGIPEWNF-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.99
Rot. Bonds4

About tert-butyl N-[2-[(3-formylcyclopentyl)amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[(3-formylcyclopentyl)amino]-2-oxoethyl]carbamate (PubChem CID 141436704) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-formylcyclopentyl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-formylcyclopentyl)amino]-2-oxoethyl]carbamate
PubChem CID141436704
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Nametert-butyl N-[2-[(3-formylcyclopentyl)amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NC1CCC(C=O)C1
InChIInChI=1S/C13H22N2O4/c1-13(2,3)19-12(18)14-7-11(17)15-10-5-4-9(6-10)8-16/h8-10H,4-7H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyTZSJFBBGIPEWNF-UHFFFAOYSA-N
XLogP0.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[[3-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]carbamate
CID 140814395
methyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-1-carboxylate
CID 108558897
tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate
CID 24688554
tert-butyl N-[2-[(1-cyclopropyl-3-hydroxyprop-1-en-2-yl)amino]-2-oxoethyl]carbamate
CID 175496197
tert-butyl N-[2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108558901
tert-butyl N-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108558894
tert-butyl N-[3-(ethylcarbamoyl)cyclopentyl]carbamate
CID 123825419
tert-butyl N-[3-(2-oxobutyl)cyclopentyl]carbamate
CID 165465288
[(E)-3-cyclopropylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 168982002
tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate
CID 86277406
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 23397565
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
CID 79461532

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-formylcyclopentyl)amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-formylcyclopentyl)amino]-2-oxoethyl]carbamate (CID 141436704) is tert-butyl N-[2-[(3-formylcyclopentyl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-formylcyclopentyl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-formylcyclopentyl)amino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NC1CCC(C=O)C1.
What is the InChIKey of tert-butyl N-[2-[(3-formylcyclopentyl)amino]-2-oxoethyl]carbamate?
The InChIKey is TZSJFBBGIPEWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(2,3)19-12(18)14-7-11(17)15-10-5-4-9(6-10)8-16/h8-10H,4-7H2,1-3H3,(H,14,18)(H,15,17).
What are the key properties of tert-butyl N-[2-[(3-formylcyclopentyl)amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[(3-formylcyclopentyl)amino]-2-oxoethyl]carbamate has a molecular weight of 270.33 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-formylcyclopentyl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 141436704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).