2-[2-aminoethyl-(2-phosphanylacetyl)amino]-N-methylacetamide

C7H16N3O2P — CID 167082502

IUPAC2-[2-aminoethyl-(2-phosphanylacetyl)amino]-N-methylacetamide
SMILESCNC(=O)CN(CCN)C(=O)CP
InChIInChI=1S/C7H16N3O2P/c1-9-6(11)4-10(3-2-8)7(12)5-13/h2-5,8,13H2,1H3,(H,9,11)
InChIKeyUKDGXHUKXCIKAM-UHFFFAOYSA-N
MW205.20 g/mol
LogP-1.61
Rot. Bonds5

About 2-[2-aminoethyl-(2-phosphanylacetyl)amino]-N-methylacetamide

2-[2-aminoethyl-(2-phosphanylacetyl)amino]-N-methylacetamide (PubChem CID 167082502) has the molecular formula C7H16N3O2P and a molecular weight of 205.20 g/mol. Its IUPAC name is 2-[2-aminoethyl-(2-phosphanylacetyl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-aminoethyl-(2-phosphanylacetyl)amino]-N-methylacetamide
PubChem CID167082502
Molecular FormulaC7H16N3O2P
Molecular Weight205.20 g/mol
Exact Mass205.10
IUPAC Name2-[2-aminoethyl-(2-phosphanylacetyl)amino]-N-methylacetamide
SMILESCNC(=O)CN(CCN)C(=O)CP
InChIInChI=1S/C7H16N3O2P/c1-9-6(11)4-10(3-2-8)7(12)5-13/h2-5,8,13H2,1H3,(H,9,11)
InChIKeyUKDGXHUKXCIKAM-UHFFFAOYSA-N
XLogP-1.61
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl-(2-phosphanylacetyl)amino]-N-methylacetamide?
The IUPAC name of 2-[2-aminoethyl-(2-phosphanylacetyl)amino]-N-methylacetamide (CID 167082502) is 2-[2-aminoethyl-(2-phosphanylacetyl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[2-aminoethyl-(2-phosphanylacetyl)amino]-N-methylacetamide?
The canonical SMILES for 2-[2-aminoethyl-(2-phosphanylacetyl)amino]-N-methylacetamide is CNC(=O)CN(CCN)C(=O)CP.
What is the InChIKey of 2-[2-aminoethyl-(2-phosphanylacetyl)amino]-N-methylacetamide?
The InChIKey is UKDGXHUKXCIKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N3O2P/c1-9-6(11)4-10(3-2-8)7(12)5-13/h2-5,8,13H2,1H3,(H,9,11).
What are the key properties of 2-[2-aminoethyl-(2-phosphanylacetyl)amino]-N-methylacetamide?
2-[2-aminoethyl-(2-phosphanylacetyl)amino]-N-methylacetamide has a molecular weight of 205.20 g/mol, XLogP of -1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl-(2-phosphanylacetyl)amino]-N-methylacetamide is sourced from PubChem (CID 167082502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).