3-[[methyl(phosphanyl)amino]methyl]-4-oxoazetidine-2-carboxylic acid

C6H11N2O3P — CID 20715936

IUPAC3-[[methyl(phosphanyl)amino]methyl]-4-oxoazetidine-2-carboxylic acid
SMILESCN(P)CC1C(=O)NC1C(=O)O
InChIInChI=1S/C6H11N2O3P/c1-8(12)2-3-4(6(10)11)7-5(3)9/h3-4H,2,12H2,1H3,(H,7,9)(H,10,11)
InChIKeyLHMUYVBKGSMNLC-UHFFFAOYSA-N
MW190.14 g/mol
LogP-1.09
Rot. Bonds3

About 3-[[methyl(phosphanyl)amino]methyl]-4-oxoazetidine-2-carboxylic acid

3-[[methyl(phosphanyl)amino]methyl]-4-oxoazetidine-2-carboxylic acid (PubChem CID 20715936) has the molecular formula C6H11N2O3P and a molecular weight of 190.14 g/mol. Its IUPAC name is 3-[[methyl(phosphanyl)amino]methyl]-4-oxoazetidine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[methyl(phosphanyl)amino]methyl]-4-oxoazetidine-2-carboxylic acid
PubChem CID20715936
Molecular FormulaC6H11N2O3P
Molecular Weight190.14 g/mol
Exact Mass190.05
IUPAC Name3-[[methyl(phosphanyl)amino]methyl]-4-oxoazetidine-2-carboxylic acid
SMILESCN(P)CC1C(=O)NC1C(=O)O
InChIInChI=1S/C6H11N2O3P/c1-8(12)2-3-4(6(10)11)7-5(3)9/h3-4H,2,12H2,1H3,(H,7,9)(H,10,11)
InChIKeyLHMUYVBKGSMNLC-UHFFFAOYSA-N
XLogP-1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.14
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylpropyl)amino]-3-[N-(2-methylpropyl)carbamoyl]propanoic acid
CID 2957472
N-isovalerylasparagine
CID 30054287
Iso-aspartyl-valine
CID 102063595
N-methyl-3methylasparagine
CID 129846447
3,3-Dimethyl-4-oxoazetidine-2-carboxylic acid
CID 13689344
(2S)-3,3-dimethyl-4-oxoazetidine-2-carboxylic acid
CID 13689345
3-Ethyl-4-oxoazetidine-2-carboxylic acid
CID 14337219
4-Amino-2-(2-methylpropanoylamino)-4-oxobutanoic acid
CID 16775588
3-Carbamoyl-2-(3-methylbutanamido)propanoic acid
CID 16778207
(2S,3R)-3-methyl-4-oxoazetidine-2-carboxylic acid
CID 18601108
3-Methyl-4-oxoazetidine-2-carboxylic acid
CID 19049951
3-(Aminomethyl)-4-oxoazetidine-2-carboxylic acid
CID 20715926

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(phosphanyl)amino]methyl]-4-oxoazetidine-2-carboxylic acid?
The IUPAC name of 3-[[methyl(phosphanyl)amino]methyl]-4-oxoazetidine-2-carboxylic acid (CID 20715936) is 3-[[methyl(phosphanyl)amino]methyl]-4-oxoazetidine-2-carboxylic acid.
What is the SMILES notation for 3-[[methyl(phosphanyl)amino]methyl]-4-oxoazetidine-2-carboxylic acid?
The canonical SMILES for 3-[[methyl(phosphanyl)amino]methyl]-4-oxoazetidine-2-carboxylic acid is CN(P)CC1C(=O)NC1C(=O)O.
What is the InChIKey of 3-[[methyl(phosphanyl)amino]methyl]-4-oxoazetidine-2-carboxylic acid?
The InChIKey is LHMUYVBKGSMNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2O3P/c1-8(12)2-3-4(6(10)11)7-5(3)9/h3-4H,2,12H2,1H3,(H,7,9)(H,10,11).
What are the key properties of 3-[[methyl(phosphanyl)amino]methyl]-4-oxoazetidine-2-carboxylic acid?
3-[[methyl(phosphanyl)amino]methyl]-4-oxoazetidine-2-carboxylic acid has a molecular weight of 190.14 g/mol, XLogP of -1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(phosphanyl)amino]methyl]-4-oxoazetidine-2-carboxylic acid is sourced from PubChem (CID 20715936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).