1-(methylcarbamoylamino)ethyl-oxophosphanium

C4H10N2O2P+ — CID 173454596

IUPAC1-(methylcarbamoylamino)ethyl-oxophosphanium
SMILESCNC(=O)NC(C)[PH+]=O
InChIInChI=1S/C4H9N2O2P/c1-3(9-8)6-4(7)5-2/h3H,1-2H3,(H2,5,6,7)/p+1
InChIKeyITVSEIWOHXUHCH-UHFFFAOYSA-O
MW149.11 g/mol
LogP0.29
Rot. Bonds2

About 1-(methylcarbamoylamino)ethyl-oxophosphanium

1-(methylcarbamoylamino)ethyl-oxophosphanium (PubChem CID 173454596) has the molecular formula C4H10N2O2P+ and a molecular weight of 149.11 g/mol. Its IUPAC name is 1-(methylcarbamoylamino)ethyl-oxophosphanium.

Molecular Properties

Compound Name1-(methylcarbamoylamino)ethyl-oxophosphanium
PubChem CID173454596
Molecular FormulaC4H10N2O2P+
Molecular Weight149.11 g/mol
Exact Mass149.05
IUPAC Name1-(methylcarbamoylamino)ethyl-oxophosphanium
SMILESCNC(=O)NC(C)[PH+]=O
InChIInChI=1S/C4H9N2O2P/c1-3(9-8)6-4(7)5-2/h3H,1-2H3,(H2,5,6,7)/p+1
InChIKeyITVSEIWOHXUHCH-UHFFFAOYSA-O
XLogP0.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-aminoethyl)-3-methylurea
CID 89495208
1-methyl-3-(3-methylbutan-2-yl)urea
CID 115575176
1,3-dimethylurea
CID 163366790
1,3-dimethylurea
CID 7293
1-methyl-3-[(1S)-2,2,2-tribromo-1-hydroxyethyl]urea
CID 95560533
(2R)-N,N-dimethyl-2-(methylcarbamoylamino)propanamide
CID 59006567
1-methyl-3-methyliodanuidylurea
CID 147358367
(2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid
CID 30070504
1-[[(2S)-2-hydroxypropanoyl]amino]-3-methylurea
CID 97178553
1-methyl-3-(1,2,2,2-tetrachloroethyl)urea
CID 13349766
2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide
CID 116657715
1-(1-ethylsulfanylpropan-2-yl)-3-methylurea
CID 115661079

Frequently Asked Questions

What is the IUPAC name of 1-(methylcarbamoylamino)ethyl-oxophosphanium?
The IUPAC name of 1-(methylcarbamoylamino)ethyl-oxophosphanium (CID 173454596) is 1-(methylcarbamoylamino)ethyl-oxophosphanium.
What is the SMILES notation for 1-(methylcarbamoylamino)ethyl-oxophosphanium?
The canonical SMILES for 1-(methylcarbamoylamino)ethyl-oxophosphanium is CNC(=O)NC(C)[PH+]=O.
What is the InChIKey of 1-(methylcarbamoylamino)ethyl-oxophosphanium?
The InChIKey is ITVSEIWOHXUHCH-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9N2O2P/c1-3(9-8)6-4(7)5-2/h3H,1-2H3,(H2,5,6,7)/p+1.
What are the key properties of 1-(methylcarbamoylamino)ethyl-oxophosphanium?
1-(methylcarbamoylamino)ethyl-oxophosphanium has a molecular weight of 149.11 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylcarbamoylamino)ethyl-oxophosphanium is sourced from PubChem (CID 173454596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).