[4-[[amino-(methylphosphanylamino)methylidene]amino]phenyl] 2-amino-2-methylpropanoate

C12H19N4O2P — CID 129028827

IUPAC[4-[[amino-(methylphosphanylamino)methylidene]amino]phenyl] 2-amino-2-methylpropanoate
SMILESCPN/C(N)=N/c1ccc(OC(=O)C(C)(C)N)cc1
InChIInChI=1S/C12H19N4O2P/c1-12(2,14)10(17)18-9-6-4-8(5-7-9)15-11(13)16-19-3/h4-7,19H,14H2,1-3H3,(H3,13,15,16)
InChIKeyGDCYKDHVHBPKKZ-UHFFFAOYSA-N
MW282.28 g/mol
LogP1.09
Rot. Bonds4

About [4-[[amino-(methylphosphanylamino)methylidene]amino]phenyl] 2-amino-2-methylpropanoate

[4-[[amino-(methylphosphanylamino)methylidene]amino]phenyl] 2-amino-2-methylpropanoate (PubChem CID 129028827) has the molecular formula C12H19N4O2P and a molecular weight of 282.28 g/mol. Its IUPAC name is [4-[[amino-(methylphosphanylamino)methylidene]amino]phenyl] 2-amino-2-methylpropanoate.

Molecular Properties

Compound Name[4-[[amino-(methylphosphanylamino)methylidene]amino]phenyl] 2-amino-2-methylpropanoate
PubChem CID129028827
Molecular FormulaC12H19N4O2P
Molecular Weight282.28 g/mol
Exact Mass282.12
IUPAC Name[4-[[amino-(methylphosphanylamino)methylidene]amino]phenyl] 2-amino-2-methylpropanoate
SMILESCPN/C(N)=N/c1ccc(OC(=O)C(C)(C)N)cc1
InChIInChI=1S/C12H19N4O2P/c1-12(2,14)10(17)18-9-6-4-8(5-7-9)15-11(13)16-19-3/h4-7,19H,14H2,1-3H3,(H3,13,15,16)
InChIKeyGDCYKDHVHBPKKZ-UHFFFAOYSA-N
XLogP1.09
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 51.09
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5-[[1-[4-[[amino-(methylphosphanylamino)methylidene]amino]phenoxy]-2-methyl-1-oxopropan-2-yl]amino]-2-(methylidenephosphanylamino)-5-oxopentanoic acid
CID 129028828
phenyl 2-amino-2-methylpropanoate
CID 22002021
(3,4-dichlorophenyl) 2-amino-2-methylpropanoate
CID 90947932
tert-butyl [[N'-(4-fluorophenyl)carbamimidoyl]amino] carbonate
CID 141483623
[N'-(4-propan-2-yloxyphenyl)carbamimidoyl]urea
CID 136937293
[4-(2-chloro-2-methylpropanoyl)oxyphenyl] 2-chloro-2-methylpropanoate
CID 101006575
[4-(2-methylpropanoyloxy)phenyl] 4-(diaminomethylideneamino)benzoate
CID 23341009
4-[[amino-(4-methoxyphenyl)methylidene]amino]benzoic acid
CID 142079900
(4-methylsulfanylphenyl) 4-(diaminomethylideneamino)benzoate
CID 3061392
[4-[[amino-[(Z)-[amino(anilino)methylidene]amino]methylidene]amino]phenyl] acetate
CID 21492875
methanesulfonic acid;(4-sulfamoylphenyl) 4-(diaminomethylideneamino)benzoate
CID 10342645
[4-(diaminomethylideneamino)phenyl] (2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 10524617

Frequently Asked Questions

What is the IUPAC name of [4-[[amino-(methylphosphanylamino)methylidene]amino]phenyl] 2-amino-2-methylpropanoate?
The IUPAC name of [4-[[amino-(methylphosphanylamino)methylidene]amino]phenyl] 2-amino-2-methylpropanoate (CID 129028827) is [4-[[amino-(methylphosphanylamino)methylidene]amino]phenyl] 2-amino-2-methylpropanoate.
What is the SMILES notation for [4-[[amino-(methylphosphanylamino)methylidene]amino]phenyl] 2-amino-2-methylpropanoate?
The canonical SMILES for [4-[[amino-(methylphosphanylamino)methylidene]amino]phenyl] 2-amino-2-methylpropanoate is CPN/C(N)=N/c1ccc(OC(=O)C(C)(C)N)cc1.
What is the InChIKey of [4-[[amino-(methylphosphanylamino)methylidene]amino]phenyl] 2-amino-2-methylpropanoate?
The InChIKey is GDCYKDHVHBPKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N4O2P/c1-12(2,14)10(17)18-9-6-4-8(5-7-9)15-11(13)16-19-3/h4-7,19H,14H2,1-3H3,(H3,13,15,16).
What are the key properties of [4-[[amino-(methylphosphanylamino)methylidene]amino]phenyl] 2-amino-2-methylpropanoate?
[4-[[amino-(methylphosphanylamino)methylidene]amino]phenyl] 2-amino-2-methylpropanoate has a molecular weight of 282.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[amino-(methylphosphanylamino)methylidene]amino]phenyl] 2-amino-2-methylpropanoate is sourced from PubChem (CID 129028827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).