tert-butyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate

C12H22N2O3 — CID 113052169

IUPACtert-butyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate
SMILESCC(=O)N(CCNC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C12H22N2O3/c1-9(15)14(10-5-6-10)8-7-13-11(16)17-12(2,3)4/h10H,5-8H2,1-4H3,(H,13,16)
InChIKeyGPAUOWAIZCTKNQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.52
Rot. Bonds4

About tert-butyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate

tert-butyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate (PubChem CID 113052169) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate
PubChem CID113052169
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate
SMILESCC(=O)N(CCNC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C12H22N2O3/c1-9(15)14(10-5-6-10)8-7-13-11(16)17-12(2,3)4/h10H,5-8H2,1-4H3,(H,13,16)
InChIKeyGPAUOWAIZCTKNQ-UHFFFAOYSA-N
XLogP1.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[acetyl(cycloheptyl)amino]ethyl]carbamate
CID 113056745
methyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate
CID 113052167
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate
CID 90457113
2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]cyclohexyl]acetic acid
CID 90205224
tert-butyl N-[2-[(2-bromo-2-methylpropanoyl)-cyclohexylamino]ethyl]carbamate
CID 91537220
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2,2-dimethylpropanamide
CID 113056688
tert-butyl N-[2-[(4,4-difluorocyclohexyl)-methylamino]ethyl]carbamate
CID 139389518
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate
CID 123324286
tert-butyl N-(acetamidomethyl)carbamate
CID 5325897
tert-butyl N-cyclopropyl-N-[2-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]ethyl]carbamate
CID 111002179
tert-butyl N-[4-[4-[bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl]carbamate
CID 170606638

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate (CID 113052169) is tert-butyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate is CC(=O)N(CCNC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate?
The InChIKey is GPAUOWAIZCTKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(15)14(10-5-6-10)8-7-13-11(16)17-12(2,3)4/h10H,5-8H2,1-4H3,(H,13,16).
What are the key properties of tert-butyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate?
tert-butyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate has a molecular weight of 242.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate is sourced from PubChem (CID 113052169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).