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

C13H24N2O4 — CID 140814395

IUPACtert-butyl N-[2-[[3-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NC1CCC(CO)C1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)14-7-11(17)15-10-5-4-9(6-10)8-16/h9-10,16H,4-8H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyXLRMOURCXOVMFM-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.79
Rot. Bonds4

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

tert-butyl N-[2-[[3-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]carbamate (PubChem CID 140814395) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is tert-butyl N-[2-[[3-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[3-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]carbamate
PubChem CID140814395
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nametert-butyl N-[2-[[3-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NC1CCC(CO)C1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)14-7-11(17)15-10-5-4-9(6-10)8-16/h9-10,16H,4-8H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyXLRMOURCXOVMFM-UHFFFAOYSA-N
XLogP0.79
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(3-formylcyclopentyl)amino]-2-oxoethyl]carbamate
CID 141436704
tert-butyl N-[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamate
CID 83823767
(4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride
CID 159376194
methyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-1-carboxylate
CID 108558897
2-chloro-N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]acetamide
CID 178190561
tert-butyl N-[3-(2-oxobutyl)cyclopentyl]carbamate
CID 165465288
tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate
CID 24688554
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
CID 58962901
tert-butyl N-[2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108558901
tert-butyl N-[3-[2-(dimethylamino)ethyl]cyclopentyl]carbamate
CID 163374886

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[3-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[3-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]carbamate (CID 140814395) is tert-butyl N-[2-[[3-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[3-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[3-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NC1CCC(CO)C1.
What is the InChIKey of tert-butyl N-[2-[[3-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]carbamate?
The InChIKey is XLRMOURCXOVMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)14-7-11(17)15-10-5-4-9(6-10)8-16/h9-10,16H,4-8H2,1-3H3,(H,14,18)(H,15,17).
What are the key properties of tert-butyl N-[2-[[3-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[3-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]carbamate has a molecular weight of 272.34 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[3-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 140814395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).