[(2-aminoacetyl)amino]methylphosphonic acid;propan-2-amine

C6H18N3O4P — CID 161473833

IUPAC[(2-aminoacetyl)amino]methylphosphonic acid;propan-2-amine
SMILESCC(C)N.NCC(=O)NCP(=O)(O)O
InChIInChI=1S/C3H9N2O4P.C3H9N/c4-1-3(6)5-2-10(7,8)9;1-3(2)4/h1-2,4H2,(H,5,6)(H2,7,8,9);3H,4H2,1-2H3
InChIKeyWDLFUTPXNTVBCS-UHFFFAOYSA-N
MW227.20 g/mol
LogP-1.45
Rot. Bonds3

About [(2-aminoacetyl)amino]methylphosphonic acid;propan-2-amine

[(2-aminoacetyl)amino]methylphosphonic acid;propan-2-amine (PubChem CID 161473833) has the molecular formula C6H18N3O4P and a molecular weight of 227.20 g/mol. Its IUPAC name is [(2-aminoacetyl)amino]methylphosphonic acid;propan-2-amine.

Molecular Properties

Compound Name[(2-aminoacetyl)amino]methylphosphonic acid;propan-2-amine
PubChem CID161473833
Molecular FormulaC6H18N3O4P
Molecular Weight227.20 g/mol
Exact Mass227.10
IUPAC Name[(2-aminoacetyl)amino]methylphosphonic acid;propan-2-amine
SMILESCC(C)N.NCC(=O)NCP(=O)(O)O
InChIInChI=1S/C3H9N2O4P.C3H9N/c4-1-3(6)5-2-10(7,8)9;1-3(2)4/h1-2,4H2,(H,5,6)(H2,7,8,9);3H,4H2,1-2H3
InChIKeyWDLFUTPXNTVBCS-UHFFFAOYSA-N
XLogP-1.45
TPSA138.67 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 5-1.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetamidomethylphosphonic acid
CID 3017080
(2-aminopropylamino)methylphosphonic acid
CID 174921252
2-amino-N-(3-amino-2-methylpropyl)acetamide
CID 130703152
2-amino-N-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]acetamide
CID 60847744
3-[(2-aminoacetyl)amino]-2-methylpropanoic acid
CID 62675013
2-amino-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66089038
2-amino-3-[(2-aminoacetyl)amino]propanoic acid
CID 14721793
[(2-oxo-2-propan-2-yloxyethyl)amino]methylphosphonic acid
CID 13338650
2-amino-N-[8-(propan-2-ylamino)octyl]acetamide
CID 154670935
2-amino-N-(3-methylsulfanylbutyl)acetamide
CID 115734039
[(1R)-1-aminoethyl]phosphonic acid;hydrochloride
CID 88516256
[(1-amino-2-aminooxy-2-oxoethyl)amino]methylphosphonic acid
CID 87933519

Frequently Asked Questions

What is the IUPAC name of [(2-aminoacetyl)amino]methylphosphonic acid;propan-2-amine?
The IUPAC name of [(2-aminoacetyl)amino]methylphosphonic acid;propan-2-amine (CID 161473833) is [(2-aminoacetyl)amino]methylphosphonic acid;propan-2-amine.
What is the SMILES notation for [(2-aminoacetyl)amino]methylphosphonic acid;propan-2-amine?
The canonical SMILES for [(2-aminoacetyl)amino]methylphosphonic acid;propan-2-amine is CC(C)N.NCC(=O)NCP(=O)(O)O.
What is the InChIKey of [(2-aminoacetyl)amino]methylphosphonic acid;propan-2-amine?
The InChIKey is WDLFUTPXNTVBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N2O4P.C3H9N/c4-1-3(6)5-2-10(7,8)9;1-3(2)4/h1-2,4H2,(H,5,6)(H2,7,8,9);3H,4H2,1-2H3.
What are the key properties of [(2-aminoacetyl)amino]methylphosphonic acid;propan-2-amine?
[(2-aminoacetyl)amino]methylphosphonic acid;propan-2-amine has a molecular weight of 227.20 g/mol, XLogP of -1.45, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-aminoacetyl)amino]methylphosphonic acid;propan-2-amine is sourced from PubChem (CID 161473833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).