2-(methylamino)-2-phosphonoacetic acid

C3H8NO5P — CID 89177794

IUPAC2-(methylamino)-2-phosphonoacetic acid
SMILESCNC(C(=O)O)P(=O)(O)O
InChIInChI=1S/C3H8NO5P/c1-4-2(3(5)6)10(7,8)9/h2,4H,1H3,(H,5,6)(H2,7,8,9)
InChIKeyFWPSRTYRKCTNRQ-UHFFFAOYSA-N
MW169.07 g/mol
LogP-1.21
Rot. Bonds3

About 2-(methylamino)-2-phosphonoacetic acid

2-(methylamino)-2-phosphonoacetic acid (PubChem CID 89177794) has the molecular formula C3H8NO5P and a molecular weight of 169.07 g/mol. Its IUPAC name is 2-(methylamino)-2-phosphonoacetic acid.

Molecular Properties

Compound Name2-(methylamino)-2-phosphonoacetic acid
PubChem CID89177794
Molecular FormulaC3H8NO5P
Molecular Weight169.07 g/mol
Exact Mass169.01
IUPAC Name2-(methylamino)-2-phosphonoacetic acid
SMILESCNC(C(=O)O)P(=O)(O)O
InChIInChI=1S/C3H8NO5P/c1-4-2(3(5)6)10(7,8)9/h2,4H,1H3,(H,5,6)(H2,7,8,9)
InChIKeyFWPSRTYRKCTNRQ-UHFFFAOYSA-N
XLogP-1.21
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.07
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(methanethioylamino)-2-phosphonoacetic acid
CID 88804187
3-methyl-3-(methylamino)-2-(phosphonomethyl)butanoic acid
CID 146600699
2-amino-2-phosphonoacetic acid
CID 14104870
2-hydroxy-4-phosphonobutanoic acid;methanol
CID 175009801
2-(1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-5-ylamino)-2-phosphonoacetic acid
CID 154526708
3,3-dimethyl-2-(methylamino)butanoic acid;ethane
CID 143824756
3,4-dimethyl-2-(methylamino)pentanoic acid
CID 15385160
actinium;2-hydroxy-2-(methylamino)acetic acid
CID 59943619
2-phosphonopropanoic acid;3-phosphonopropanoic acid
CID 161192791
(2S)-2-amino-2-methyl-4-phosphonobutanoic acid chloride
CID 53313139
2-(methylsulfanylmethyl)-3-phosphonobutanedioic acid
CID 21478387
hexacalcium;hydride;2-hydroxypropanoic acid;phosphoric acid
CID 173158214

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-phosphonoacetic acid?
The IUPAC name of 2-(methylamino)-2-phosphonoacetic acid (CID 89177794) is 2-(methylamino)-2-phosphonoacetic acid.
What is the SMILES notation for 2-(methylamino)-2-phosphonoacetic acid?
The canonical SMILES for 2-(methylamino)-2-phosphonoacetic acid is CNC(C(=O)O)P(=O)(O)O.
What is the InChIKey of 2-(methylamino)-2-phosphonoacetic acid?
The InChIKey is FWPSRTYRKCTNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO5P/c1-4-2(3(5)6)10(7,8)9/h2,4H,1H3,(H,5,6)(H2,7,8,9).
What are the key properties of 2-(methylamino)-2-phosphonoacetic acid?
2-(methylamino)-2-phosphonoacetic acid has a molecular weight of 169.07 g/mol, XLogP of -1.21, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-phosphonoacetic acid is sourced from PubChem (CID 89177794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).