tert-butyl N-(2-amino-3-phosphanyloxypropyl)carbamate

C8H19N2O3P — CID 59704846

IUPACtert-butyl N-(2-amino-3-phosphanyloxypropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(N)COP
InChIInChI=1S/C8H19N2O3P/c1-8(2,3)13-7(11)10-4-6(9)5-12-14/h6H,4-5,9,14H2,1-3H3,(H,10,11)
InChIKeyBSEIVDKDFXFFNF-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.65
Rot. Bonds4

About tert-butyl N-(2-amino-3-phosphanyloxypropyl)carbamate

tert-butyl N-(2-amino-3-phosphanyloxypropyl)carbamate (PubChem CID 59704846) has the molecular formula C8H19N2O3P and a molecular weight of 222.22 g/mol. Its IUPAC name is tert-butyl N-(2-amino-3-phosphanyloxypropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-amino-3-phosphanyloxypropyl)carbamate
PubChem CID59704846
Molecular FormulaC8H19N2O3P
Molecular Weight222.22 g/mol
Exact Mass222.11
IUPAC Nametert-butyl N-(2-amino-3-phosphanyloxypropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(N)COP
InChIInChI=1S/C8H19N2O3P/c1-8(2,3)13-7(11)10-4-6(9)5-12-14/h6H,4-5,9,14H2,1-3H3,(H,10,11)
InChIKeyBSEIVDKDFXFFNF-UHFFFAOYSA-N
XLogP0.65
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
tert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate
CID 84728252
tert-butyl N-(2-amino-3-methylbutyl)carbamate
CID 71437538
tert-butyl N-[(2R)-2-amino-3-oxobutyl]carbamate
CID 170234011
tert-butyl N-(2-amino-3-phosphanyloxypropyl)carbamate;4-chloro-3-nitroquinoline;ethane
CID 91318728
tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate
CID 87428615
methyl 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 170380400
tert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate
CID 87486747
tert-butyl N-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]carbamate
CID 154958411
tert-butyl N-(3-amino-2-iodopropyl)carbamate
CID 118190466
methyl 2-iodo-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 103493270

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-3-phosphanyloxypropyl)carbamate?
The IUPAC name of tert-butyl N-(2-amino-3-phosphanyloxypropyl)carbamate (CID 59704846) is tert-butyl N-(2-amino-3-phosphanyloxypropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-amino-3-phosphanyloxypropyl)carbamate?
The canonical SMILES for tert-butyl N-(2-amino-3-phosphanyloxypropyl)carbamate is CC(C)(C)OC(=O)NCC(N)COP.
What is the InChIKey of tert-butyl N-(2-amino-3-phosphanyloxypropyl)carbamate?
The InChIKey is BSEIVDKDFXFFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2O3P/c1-8(2,3)13-7(11)10-4-6(9)5-12-14/h6H,4-5,9,14H2,1-3H3,(H,10,11).
What are the key properties of tert-butyl N-(2-amino-3-phosphanyloxypropyl)carbamate?
tert-butyl N-(2-amino-3-phosphanyloxypropyl)carbamate has a molecular weight of 222.22 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-amino-3-phosphanyloxypropyl)carbamate is sourced from PubChem (CID 59704846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).