tert-butyl N-[N'-methyl-N-(2-oxopropyl)carbamimidoyl]carbamate

C10H19N3O3 — CID 58434529

IUPACtert-butyl N-[N'-methyl-N-(2-oxopropyl)carbamimidoyl]carbamate
SMILESC/N=C(\NCC(C)=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19N3O3/c1-7(14)6-12-8(11-5)13-9(15)16-10(2,3)4/h6H2,1-5H3,(H2,11,12,13,15)
InChIKeyLSAXRJXMJXNXJQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.68
Rot. Bonds2

About tert-butyl N-[N'-methyl-N-(2-oxopropyl)carbamimidoyl]carbamate

tert-butyl N-[N'-methyl-N-(2-oxopropyl)carbamimidoyl]carbamate (PubChem CID 58434529) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is tert-butyl N-[N'-methyl-N-(2-oxopropyl)carbamimidoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[N'-methyl-N-(2-oxopropyl)carbamimidoyl]carbamate
PubChem CID58434529
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Nametert-butyl N-[N'-methyl-N-(2-oxopropyl)carbamimidoyl]carbamate
SMILESC/N=C(\NCC(C)=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19N3O3/c1-7(14)6-12-8(11-5)13-9(15)16-10(2,3)4/h6H2,1-5H3,(H2,11,12,13,15)
InChIKeyLSAXRJXMJXNXJQ-UHFFFAOYSA-N
XLogP0.68
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(1,4,5,6-tetrahydropyrimidin-2-yl)carbamate
CID 10512203
tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(2-oxopropyl)carbamimidoyl]carbamate
CID 57838868
tert-butyl N-[N-methyl-N'-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxopropyl)carbamimidoyl]carbamate
CID 118594249
tert-butyl N-[2-[(5-oxo-4,6-dihydro-1H-pyrimidin-2-yl)amino]ethyl]carbamate
CID 123461858
tert-butyl N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)carbamate
CID 123712642
tert-butyl N-(N'-methyl-N-propylcarbamimidoyl)carbamate
CID 156082859
tert-butyl N-(N,N'-dimethyl-N-propylcarbamimidoyl)carbamate
CID 164116763
tert-butyl N-(N-butyl-N'-methylcarbamimidoyl)carbamate
CID 167252121
tert-butyl N-(N-acetyl-N'-ethyl-N-methylcarbamimidoyl)carbamate
CID 169920108
tert-butyl N-[N-methyl-N'-[(2-methylpropan-2-yl)oxycarbonyl]-N-propylcarbamimidoyl]carbamate
CID 173901968
tert-butyl N-[[ethyl(methyl)amino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 174023705

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[N'-methyl-N-(2-oxopropyl)carbamimidoyl]carbamate?
The IUPAC name of tert-butyl N-[N'-methyl-N-(2-oxopropyl)carbamimidoyl]carbamate (CID 58434529) is tert-butyl N-[N'-methyl-N-(2-oxopropyl)carbamimidoyl]carbamate.
What is the SMILES notation for tert-butyl N-[N'-methyl-N-(2-oxopropyl)carbamimidoyl]carbamate?
The canonical SMILES for tert-butyl N-[N'-methyl-N-(2-oxopropyl)carbamimidoyl]carbamate is C/N=C(\NCC(C)=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[N'-methyl-N-(2-oxopropyl)carbamimidoyl]carbamate?
The InChIKey is LSAXRJXMJXNXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-7(14)6-12-8(11-5)13-9(15)16-10(2,3)4/h6H2,1-5H3,(H2,11,12,13,15).
What are the key properties of tert-butyl N-[N'-methyl-N-(2-oxopropyl)carbamimidoyl]carbamate?
tert-butyl N-[N'-methyl-N-(2-oxopropyl)carbamimidoyl]carbamate has a molecular weight of 229.28 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[N'-methyl-N-(2-oxopropyl)carbamimidoyl]carbamate is sourced from PubChem (CID 58434529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).