propan-2-yl 2-(methylphosphanylamino)propanoate

C7H16NO2P — CID 145444440

IUPACpropan-2-yl 2-(methylphosphanylamino)propanoate
SMILESCPNC(C)C(=O)OC(C)C
InChIInChI=1S/C7H16NO2P/c1-5(2)10-7(9)6(3)8-11-4/h5-6,8,11H,1-4H3
InChIKeyGMYHXKFTHDOCMS-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.14
Rot. Bonds4

About propan-2-yl 2-(methylphosphanylamino)propanoate

propan-2-yl 2-(methylphosphanylamino)propanoate (PubChem CID 145444440) has the molecular formula C7H16NO2P and a molecular weight of 177.18 g/mol. Its IUPAC name is propan-2-yl 2-(methylphosphanylamino)propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-(methylphosphanylamino)propanoate
PubChem CID145444440
Molecular FormulaC7H16NO2P
Molecular Weight177.18 g/mol
Exact Mass177.09
IUPAC Namepropan-2-yl 2-(methylphosphanylamino)propanoate
SMILESCPNC(C)C(=O)OC(C)C
InChIInChI=1S/C7H16NO2P/c1-5(2)10-7(9)6(3)8-11-4/h5-6,8,11H,1-4H3
InChIKeyGMYHXKFTHDOCMS-UHFFFAOYSA-N
XLogP1.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphonous acid
CID 144985569
propan-2-yl (2S)-2-(iodoamino)propanoate
CID 122534209
propan-2-yl (2R)-2-acetamidopropanoate
CID 165357542
chloro-N-(1-oxo-1-propan-2-yloxypropan-2-yl)phosphonamidous acid
CID 123139392
propan-2-yl (2S)-2-(ethylamino)propanoate
CID 134571850
propan-2-yl (2R)-2-(dimethylphosphinothioylamino)propanoate
CID 167499810
propan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate
CID 87153753
propan-2-yl (2S)-2-aminopropanoate
CID 13089460
dipropan-2-yl 2-aminopropanedioate
CID 141226348
propan-2-yl 2-aminopropanoate
CID 11804791
methoxy-oxo-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium
CID 90399130
methyl 3-methyl-2-[2-(1-oxo-1-propan-2-yloxypropan-2-yl)hydrazinyl]butanoate
CID 173263875

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(methylphosphanylamino)propanoate?
The IUPAC name of propan-2-yl 2-(methylphosphanylamino)propanoate (CID 145444440) is propan-2-yl 2-(methylphosphanylamino)propanoate.
What is the SMILES notation for propan-2-yl 2-(methylphosphanylamino)propanoate?
The canonical SMILES for propan-2-yl 2-(methylphosphanylamino)propanoate is CPNC(C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-(methylphosphanylamino)propanoate?
The InChIKey is GMYHXKFTHDOCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO2P/c1-5(2)10-7(9)6(3)8-11-4/h5-6,8,11H,1-4H3.
What are the key properties of propan-2-yl 2-(methylphosphanylamino)propanoate?
propan-2-yl 2-(methylphosphanylamino)propanoate has a molecular weight of 177.18 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(methylphosphanylamino)propanoate is sourced from PubChem (CID 145444440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).