tert-butyl N-[2-[[(E)-prop-1-enyl]carbamoylamino]ethyl]carbamate

C11H21N3O3 — CID 108909751

IUPACtert-butyl N-[2-[[(E)-prop-1-enyl]carbamoylamino]ethyl]carbamate
SMILESC/C=C/NC(=O)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21N3O3/c1-5-6-12-9(15)13-7-8-14-10(16)17-11(2,3)4/h5-6H,7-8H2,1-4H3,(H,14,16)(H2,12,13,15)/b6-5+
InChIKeyBJBGQPOOKIKUDV-AATRIKPKSA-N
MW243.31 g/mol
LogP1.34
Rot. Bonds4

About tert-butyl N-[2-[[(E)-prop-1-enyl]carbamoylamino]ethyl]carbamate

tert-butyl N-[2-[[(E)-prop-1-enyl]carbamoylamino]ethyl]carbamate (PubChem CID 108909751) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is tert-butyl N-[2-[[(E)-prop-1-enyl]carbamoylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(E)-prop-1-enyl]carbamoylamino]ethyl]carbamate
PubChem CID108909751
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nametert-butyl N-[2-[[(E)-prop-1-enyl]carbamoylamino]ethyl]carbamate
SMILESC/C=C/NC(=O)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21N3O3/c1-5-6-12-9(15)13-7-8-14-10(16)17-11(2,3)4/h5-6H,7-8H2,1-4H3,(H,14,16)(H2,12,13,15)/b6-5+
InChIKeyBJBGQPOOKIKUDV-AATRIKPKSA-N
XLogP1.34
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-(3-hydroxypent-3-enyl)carbamate
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tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(E)-prop-1-enyl]carbamoylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(E)-prop-1-enyl]carbamoylamino]ethyl]carbamate (CID 108909751) is tert-butyl N-[2-[[(E)-prop-1-enyl]carbamoylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(E)-prop-1-enyl]carbamoylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(E)-prop-1-enyl]carbamoylamino]ethyl]carbamate is C/C=C/NC(=O)NCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[(E)-prop-1-enyl]carbamoylamino]ethyl]carbamate?
The InChIKey is BJBGQPOOKIKUDV-AATRIKPKSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-5-6-12-9(15)13-7-8-14-10(16)17-11(2,3)4/h5-6H,7-8H2,1-4H3,(H,14,16)(H2,12,13,15)/b6-5+.
What are the key properties of tert-butyl N-[2-[[(E)-prop-1-enyl]carbamoylamino]ethyl]carbamate?
tert-butyl N-[2-[[(E)-prop-1-enyl]carbamoylamino]ethyl]carbamate has a molecular weight of 243.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(E)-prop-1-enyl]carbamoylamino]ethyl]carbamate is sourced from PubChem (CID 108909751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).