3-amino-2-methyl-3-oxopropanoic acid;methylphosphane

C5H12NO3P — CID 174806493

IUPAC3-amino-2-methyl-3-oxopropanoic acid;methylphosphane
SMILESCC(C(N)=O)C(=O)O.CP
InChIInChI=1S/C4H7NO3.CH5P/c1-2(3(5)6)4(7)8;1-2/h2H,1H3,(H2,5,6)(H,7,8);2H2,1H3
InChIKeyNVXQPCCDQBCNAA-UHFFFAOYSA-N
MW165.13 g/mol
LogP-0.32
Rot. Bonds2

About 3-amino-2-methyl-3-oxopropanoic acid;methylphosphane

3-amino-2-methyl-3-oxopropanoic acid;methylphosphane (PubChem CID 174806493) has the molecular formula C5H12NO3P and a molecular weight of 165.13 g/mol. Its IUPAC name is 3-amino-2-methyl-3-oxopropanoic acid;methylphosphane.

Molecular Properties

Compound Name3-amino-2-methyl-3-oxopropanoic acid;methylphosphane
PubChem CID174806493
Molecular FormulaC5H12NO3P
Molecular Weight165.13 g/mol
Exact Mass165.06
IUPAC Name3-amino-2-methyl-3-oxopropanoic acid;methylphosphane
SMILESCC(C(N)=O)C(=O)O.CP
InChIInChI=1S/C4H7NO3.CH5P/c1-2(3(5)6)4(7)8;1-2/h2H,1H3,(H2,5,6)(H,7,8);2H2,1H3
InChIKeyNVXQPCCDQBCNAA-UHFFFAOYSA-N
XLogP-0.32
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.13
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-[(1-amino-1-oxopropan-2-yl)amino]-2-methyl-3-oxopropanoic acid
CID 114896888
2-aminopropanoic acid;2-hydroxypropanamide
CID 174928864
sodium 3-amino-2-methyl-3-oxopropanoate
CID 141024014
carbamic acid;ethane-1,1-diol
CID 175516501
(2S)-2-aminopropanoic acid
CID 18446182
2,3-dimethylbutanediamide
CID 55281411
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
[(2R)-1-amino-1-oxopropan-2-yl]carbamic acid
CID 66814352
3-amino-2-methoxy-3-oxopropanoic acid
CID 19373134
N',2-dimethylpropanediamide
CID 19785845
3-hydroxy-2-methyl-3-oxopropanoate
CID 5461058

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-3-oxopropanoic acid;methylphosphane?
The IUPAC name of 3-amino-2-methyl-3-oxopropanoic acid;methylphosphane (CID 174806493) is 3-amino-2-methyl-3-oxopropanoic acid;methylphosphane.
What is the SMILES notation for 3-amino-2-methyl-3-oxopropanoic acid;methylphosphane?
The canonical SMILES for 3-amino-2-methyl-3-oxopropanoic acid;methylphosphane is CC(C(N)=O)C(=O)O.CP.
What is the InChIKey of 3-amino-2-methyl-3-oxopropanoic acid;methylphosphane?
The InChIKey is NVXQPCCDQBCNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3.CH5P/c1-2(3(5)6)4(7)8;1-2/h2H,1H3,(H2,5,6)(H,7,8);2H2,1H3.
What are the key properties of 3-amino-2-methyl-3-oxopropanoic acid;methylphosphane?
3-amino-2-methyl-3-oxopropanoic acid;methylphosphane has a molecular weight of 165.13 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-3-oxopropanoic acid;methylphosphane is sourced from PubChem (CID 174806493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).