tert-butyl N-[2-(4-phosphanylbutanoylamino)ethyl]carbamate

C11H23N2O3P — CID 90445538

IUPACtert-butyl N-[2-(4-phosphanylbutanoylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)CCCP
InChIInChI=1S/C11H23N2O3P/c1-11(2,3)16-10(15)13-7-6-12-9(14)5-4-8-17/h4-8,17H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyHNZMLOQGQCUFOB-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.28
Rot. Bonds6

About tert-butyl N-[2-(4-phosphanylbutanoylamino)ethyl]carbamate

tert-butyl N-[2-(4-phosphanylbutanoylamino)ethyl]carbamate (PubChem CID 90445538) has the molecular formula C11H23N2O3P and a molecular weight of 262.29 g/mol. Its IUPAC name is tert-butyl N-[2-(4-phosphanylbutanoylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-phosphanylbutanoylamino)ethyl]carbamate
PubChem CID90445538
Molecular FormulaC11H23N2O3P
Molecular Weight262.29 g/mol
Exact Mass262.14
IUPAC Nametert-butyl N-[2-(4-phosphanylbutanoylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)CCCP
InChIInChI=1S/C11H23N2O3P/c1-11(2,3)16-10(15)13-7-6-12-9(14)5-4-8-17/h4-8,17H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyHNZMLOQGQCUFOB-UHFFFAOYSA-N
XLogP1.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-6-oxohexanoic acid
CID 114518044
tert-butyl N-[2-(butanoylamino)ethyl]carbamate
CID 88931890
tert-butyl N-[5-oxo-5-(3-oxopropylamino)pentyl]carbamate
CID 54132798
4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]-4-oxobutanoic acid
CID 10018649
tert-butyl N-[4-(ethylamino)-4-oxobutyl]carbamate
CID 11138962
tert-butyl N-[3-[4-[3-[[10-[3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]butylamino]propylamino]-10-oxodecanoyl]amino]propylamino]butylamino]propyl]carbamate
CID 10190757
11-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]undecanoic acid
CID 171702838
methyl 6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-6-oxohexanoate
CID 164886523
tert-butyl N-[4-(hexadecanoylamino)butyl]carbamate
CID 54129865
tert-butyl N-[3-(3-sulfanylpropanoylamino)propyl]carbamate
CID 141218784
tert-butyl N-[5-(hydroxymethylamino)-5-oxopentyl]carbamate
CID 91124608
tert-butyl N-[5-(butanoylamino)pentyl]carbamate
CID 90324113

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-phosphanylbutanoylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-phosphanylbutanoylamino)ethyl]carbamate (CID 90445538) is tert-butyl N-[2-(4-phosphanylbutanoylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-phosphanylbutanoylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-phosphanylbutanoylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(=O)CCCP.
What is the InChIKey of tert-butyl N-[2-(4-phosphanylbutanoylamino)ethyl]carbamate?
The InChIKey is HNZMLOQGQCUFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N2O3P/c1-11(2,3)16-10(15)13-7-6-12-9(14)5-4-8-17/h4-8,17H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of tert-butyl N-[2-(4-phosphanylbutanoylamino)ethyl]carbamate?
tert-butyl N-[2-(4-phosphanylbutanoylamino)ethyl]carbamate has a molecular weight of 262.29 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-phosphanylbutanoylamino)ethyl]carbamate is sourced from PubChem (CID 90445538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).