N,N-dimethylmethanamine;2-phosphonoprop-2-enoic acid

C6H14NO5P — CID 174532535

IUPACN,N-dimethylmethanamine;2-phosphonoprop-2-enoic acid
SMILESC=C(C(=O)O)P(=O)(O)O.CN(C)C
InChIInChI=1S/C3H9N.C3H5O5P/c1-4(2)3;1-2(3(4)5)9(6,7)8/h1-3H3;1H2,(H,4,5)(H2,6,7,8)
InChIKeyKCYCHNVNCGIRRM-UHFFFAOYSA-N
MW211.15 g/mol
LogP-0.06
Rot. Bonds2

About N,N-dimethylmethanamine;2-phosphonoprop-2-enoic acid

N,N-dimethylmethanamine;2-phosphonoprop-2-enoic acid (PubChem CID 174532535) has the molecular formula C6H14NO5P and a molecular weight of 211.15 g/mol. Its IUPAC name is N,N-dimethylmethanamine;2-phosphonoprop-2-enoic acid.

Molecular Properties

Compound NameN,N-dimethylmethanamine;2-phosphonoprop-2-enoic acid
PubChem CID174532535
Molecular FormulaC6H14NO5P
Molecular Weight211.15 g/mol
Exact Mass211.06
IUPAC NameN,N-dimethylmethanamine;2-phosphonoprop-2-enoic acid
SMILESC=C(C(=O)O)P(=O)(O)O.CN(C)C
InChIInChI=1S/C3H9N.C3H5O5P/c1-4(2)3;1-2(3(4)5)9(6,7)8/h1-3H3;1H2,(H,4,5)(H2,6,7,8)
InChIKeyKCYCHNVNCGIRRM-UHFFFAOYSA-N
XLogP-0.06
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;2-phosphonoprop-2-enoic acid?
The IUPAC name of N,N-dimethylmethanamine;2-phosphonoprop-2-enoic acid (CID 174532535) is N,N-dimethylmethanamine;2-phosphonoprop-2-enoic acid.
What is the SMILES notation for N,N-dimethylmethanamine;2-phosphonoprop-2-enoic acid?
The canonical SMILES for N,N-dimethylmethanamine;2-phosphonoprop-2-enoic acid is C=C(C(=O)O)P(=O)(O)O.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;2-phosphonoprop-2-enoic acid?
The InChIKey is KCYCHNVNCGIRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.C3H5O5P/c1-4(2)3;1-2(3(4)5)9(6,7)8/h1-3H3;1H2,(H,4,5)(H2,6,7,8).
What are the key properties of N,N-dimethylmethanamine;2-phosphonoprop-2-enoic acid?
N,N-dimethylmethanamine;2-phosphonoprop-2-enoic acid has a molecular weight of 211.15 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;2-phosphonoprop-2-enoic acid is sourced from PubChem (CID 174532535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).