N,N-dimethylmethanamine;2-phosphonoacetic acid

C5H14NO5P — CID 174478307

IUPACN,N-dimethylmethanamine;2-phosphonoacetic acid
SMILESCN(C)C.O=C(O)CP(=O)(O)O
InChIInChI=1S/C3H9N.C2H5O5P/c1-4(2)3;3-2(4)1-8(5,6)7/h1-3H3;1H2,(H,3,4)(H2,5,6,7)
InChIKeyPOMMNZQQMQLEBI-UHFFFAOYSA-N
MW199.14 g/mol
LogP-0.57
Rot. Bonds2

About N,N-dimethylmethanamine;2-phosphonoacetic acid

N,N-dimethylmethanamine;2-phosphonoacetic acid (PubChem CID 174478307) has the molecular formula C5H14NO5P and a molecular weight of 199.14 g/mol. Its IUPAC name is N,N-dimethylmethanamine;2-phosphonoacetic acid.

Molecular Properties

Compound NameN,N-dimethylmethanamine;2-phosphonoacetic acid
PubChem CID174478307
Molecular FormulaC5H14NO5P
Molecular Weight199.14 g/mol
Exact Mass199.06
IUPAC NameN,N-dimethylmethanamine;2-phosphonoacetic acid
SMILESCN(C)C.O=C(O)CP(=O)(O)O
InChIInChI=1S/C3H9N.C2H5O5P/c1-4(2)3;3-2(4)1-8(5,6)7/h1-3H3;1H2,(H,3,4)(H2,5,6,7)
InChIKeyPOMMNZQQMQLEBI-UHFFFAOYSA-N
XLogP-0.57
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.14
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phosphonoacetic acid;zirconium
CID 87438381
2-dihydroxyphosphinothioylacetic acid;2-phosphonoacetic acid
CID 157277626
2-phosphonoacetic acid;prop-2-enoic acid
CID 175306735
2-hydroxypropane-1,2,3-tricarboxylic acid;2-phosphonoacetic acid
CID 118416602
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
tricalcium;2-(dimethylamino)acetic acid;diphosphate
CID 174914773
2-chloroacetic acid;N,N-dimethylmethanamine
CID 87770829
3-methyl-4-phosphonobut-2-enoic acid
CID 54146523
2-difluorophosphorylacetic acid
CID 87531772
azane;2-(dimethylamino)acetic acid
CID 172828475
(2-bromo-2-oxoethyl)phosphonic acid
CID 87391057
butane;[2-(diethylamino)-2-oxoethyl]phosphonic acid
CID 88738432

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;2-phosphonoacetic acid?
The IUPAC name of N,N-dimethylmethanamine;2-phosphonoacetic acid (CID 174478307) is N,N-dimethylmethanamine;2-phosphonoacetic acid.
What is the SMILES notation for N,N-dimethylmethanamine;2-phosphonoacetic acid?
The canonical SMILES for N,N-dimethylmethanamine;2-phosphonoacetic acid is CN(C)C.O=C(O)CP(=O)(O)O.
What is the InChIKey of N,N-dimethylmethanamine;2-phosphonoacetic acid?
The InChIKey is POMMNZQQMQLEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.C2H5O5P/c1-4(2)3;3-2(4)1-8(5,6)7/h1-3H3;1H2,(H,3,4)(H2,5,6,7).
What are the key properties of N,N-dimethylmethanamine;2-phosphonoacetic acid?
N,N-dimethylmethanamine;2-phosphonoacetic acid has a molecular weight of 199.14 g/mol, XLogP of -0.57, 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-phosphonoacetic acid is sourced from PubChem (CID 174478307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).