tert-butyl N'-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamimidate

C10H20N4O3 — CID 170181881

IUPACtert-butyl N'-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamimidate
SMILESCC(/N=C(\N)OC(C)(C)C)C(=O)NCC(N)=O
InChIInChI=1S/C10H20N4O3/c1-6(8(16)13-5-7(11)15)14-9(12)17-10(2,3)4/h6H,5H2,1-4H3,(H2,11,15)(H2,12,14)(H,13,16)
InChIKeyFMBRVLNIBJFBHK-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.89
Rot. Bonds4

About tert-butyl N'-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamimidate

tert-butyl N'-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamimidate (PubChem CID 170181881) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is tert-butyl N'-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamimidate.

Molecular Properties

Compound Nametert-butyl N'-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamimidate
PubChem CID170181881
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Nametert-butyl N'-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamimidate
SMILESCC(/N=C(\N)OC(C)(C)C)C(=O)NCC(N)=O
InChIInChI=1S/C10H20N4O3/c1-6(8(16)13-5-7(11)15)14-9(12)17-10(2,3)4/h6H,5H2,1-4H3,(H2,11,15)(H2,12,14)(H,13,16)
InChIKeyFMBRVLNIBJFBHK-UHFFFAOYSA-N
XLogP-0.89
TPSA119.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N'-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamimidate?
The IUPAC name of tert-butyl N'-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamimidate (CID 170181881) is tert-butyl N'-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamimidate.
What is the SMILES notation for tert-butyl N'-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamimidate?
The canonical SMILES for tert-butyl N'-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamimidate is CC(/N=C(\N)OC(C)(C)C)C(=O)NCC(N)=O.
What is the InChIKey of tert-butyl N'-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamimidate?
The InChIKey is FMBRVLNIBJFBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-6(8(16)13-5-7(11)15)14-9(12)17-10(2,3)4/h6H,5H2,1-4H3,(H2,11,15)(H2,12,14)(H,13,16).
What are the key properties of tert-butyl N'-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamimidate?
tert-butyl N'-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamimidate has a molecular weight of 244.29 g/mol, XLogP of -0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N'-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamimidate is sourced from PubChem (CID 170181881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).