N-methylmethanamine;2-(phosphonomethylamino)acetic acid

C5H15N2O5P — CID 13208144

IUPACN-methylmethanamine;2-(phosphonomethylamino)acetic acid
SMILESCNC.O=C(O)CNCP(=O)(O)O
InChIInChI=1S/C3H8NO5P.C2H7N/c5-3(6)1-4-2-10(7,8)9;1-3-2/h4H,1-2H2,(H,5,6)(H2,7,8,9);3H,1-2H3
InChIKeyVDCHTAFVUAPYGO-UHFFFAOYSA-N
MW214.16 g/mol
LogP-1.37
Rot. Bonds4

About N-methylmethanamine;2-(phosphonomethylamino)acetic acid

N-methylmethanamine;2-(phosphonomethylamino)acetic acid (PubChem CID 13208144) has the molecular formula C5H15N2O5P and a molecular weight of 214.16 g/mol. Its IUPAC name is N-methylmethanamine;2-(phosphonomethylamino)acetic acid.

Molecular Properties

Compound NameN-methylmethanamine;2-(phosphonomethylamino)acetic acid
PubChem CID13208144
Molecular FormulaC5H15N2O5P
Molecular Weight214.16 g/mol
Exact Mass214.07
IUPAC NameN-methylmethanamine;2-(phosphonomethylamino)acetic acid
SMILESCNC.O=C(O)CNCP(=O)(O)O
InChIInChI=1S/C3H8NO5P.C2H7N/c5-3(6)1-4-2-10(7,8)9;1-3-2/h4H,1-2H2,(H,5,6)(H2,7,8,9);3H,1-2H3
InChIKeyVDCHTAFVUAPYGO-UHFFFAOYSA-N
XLogP-1.37
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 5-1.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;2-(phosphonomethylamino)acetic acid?
The IUPAC name of N-methylmethanamine;2-(phosphonomethylamino)acetic acid (CID 13208144) is N-methylmethanamine;2-(phosphonomethylamino)acetic acid.
What is the SMILES notation for N-methylmethanamine;2-(phosphonomethylamino)acetic acid?
The canonical SMILES for N-methylmethanamine;2-(phosphonomethylamino)acetic acid is CNC.O=C(O)CNCP(=O)(O)O.
What is the InChIKey of N-methylmethanamine;2-(phosphonomethylamino)acetic acid?
The InChIKey is VDCHTAFVUAPYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO5P.C2H7N/c5-3(6)1-4-2-10(7,8)9;1-3-2/h4H,1-2H2,(H,5,6)(H2,7,8,9);3H,1-2H3.
What are the key properties of N-methylmethanamine;2-(phosphonomethylamino)acetic acid?
N-methylmethanamine;2-(phosphonomethylamino)acetic acid has a molecular weight of 214.16 g/mol, XLogP of -1.37, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;2-(phosphonomethylamino)acetic acid is sourced from PubChem (CID 13208144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).