propan-2-yl (2S)-2-[[methoxymethyl-(2-oxopiperidin-1-yl)phosphoryl]amino]propanoate

C13H25N2O5P — CID 130324120

IUPACpropan-2-yl (2S)-2-[[methoxymethyl-(2-oxopiperidin-1-yl)phosphoryl]amino]propanoate
SMILESCOCP(=O)(N[C@@H](C)C(=O)OC(C)C)N1CCCCC1=O
InChIInChI=1S/C13H25N2O5P/c1-10(2)20-13(17)11(3)14-21(18,9-19-4)15-8-6-5-7-12(15)16/h10-11H,5-9H2,1-4H3,(H,14,18)/t11-,21?/m0/s1
InChIKeyABRWPTVNGOYSMK-QHIQZGGMSA-N
MW320.33 g/mol
LogP1.73
Rot. Bonds7

About propan-2-yl (2S)-2-[[methoxymethyl-(2-oxopiperidin-1-yl)phosphoryl]amino]propanoate

propan-2-yl (2S)-2-[[methoxymethyl-(2-oxopiperidin-1-yl)phosphoryl]amino]propanoate (PubChem CID 130324120) has the molecular formula C13H25N2O5P and a molecular weight of 320.33 g/mol. Its IUPAC name is propan-2-yl (2S)-2-[[methoxymethyl-(2-oxopiperidin-1-yl)phosphoryl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-[[methoxymethyl-(2-oxopiperidin-1-yl)phosphoryl]amino]propanoate
PubChem CID130324120
Molecular FormulaC13H25N2O5P
Molecular Weight320.33 g/mol
Exact Mass320.15
IUPAC Namepropan-2-yl (2S)-2-[[methoxymethyl-(2-oxopiperidin-1-yl)phosphoryl]amino]propanoate
SMILESCOCP(=O)(N[C@@H](C)C(=O)OC(C)C)N1CCCCC1=O
InChIInChI=1S/C13H25N2O5P/c1-10(2)20-13(17)11(3)14-21(18,9-19-4)15-8-6-5-7-12(15)16/h10-11H,5-9H2,1-4H3,(H,14,18)/t11-,21?/m0/s1
InChIKeyABRWPTVNGOYSMK-QHIQZGGMSA-N
XLogP1.73
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl (2S)-2-[[1-aminoethoxy(methoxymethyl)phosphoryl]amino]propanoate
CID 170045491
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CID 174884587
propan-2-yl (2S)-2-[[[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-(methoxymethyl)phosphoryl]amino]propanoate
CID 130324008
propan-2-yl (2S)-2-[[(2-methylidene-5-oxopyrrolidin-1-yl)oxy-phenoxyphosphoryl]amino]propanoate
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propan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate
CID 90055745
propan-2-yl (2S)-2-[[methoxymethyl(pyridin-2-ylsulfanyl)phosphoryl]amino]propanoate
CID 130324452
propan-2-yl (2S)-2-[[methoxymethyl-(4-nitrophenoxy)phosphoryl]amino]propanoate
CID 156635379
propan-2-yl 2,4-dimethyl-5-[(2-oxopiperidin-1-yl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 91641999
propan-2-yl 2-[[phenoxy(propan-2-yloxymethyl)phosphoryl]amino]propanoate
CID 90440549
ethyl (2S)-2-[[chloro(methoxymethyl)phosphoryl]amino]propanoate
CID 130324026
propan-2-yl 2-(2-oxopyrrolidin-1-yl)tetradecanoate
CID 70443541
propan-2-yl 2-[[methylsulfanyl(phenoxymethyl)phosphoryl]amino]propanoate
CID 123448021

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-[[methoxymethyl-(2-oxopiperidin-1-yl)phosphoryl]amino]propanoate?
The IUPAC name of propan-2-yl (2S)-2-[[methoxymethyl-(2-oxopiperidin-1-yl)phosphoryl]amino]propanoate (CID 130324120) is propan-2-yl (2S)-2-[[methoxymethyl-(2-oxopiperidin-1-yl)phosphoryl]amino]propanoate.
What is the SMILES notation for propan-2-yl (2S)-2-[[methoxymethyl-(2-oxopiperidin-1-yl)phosphoryl]amino]propanoate?
The canonical SMILES for propan-2-yl (2S)-2-[[methoxymethyl-(2-oxopiperidin-1-yl)phosphoryl]amino]propanoate is COCP(=O)(N[C@@H](C)C(=O)OC(C)C)N1CCCCC1=O.
What is the InChIKey of propan-2-yl (2S)-2-[[methoxymethyl-(2-oxopiperidin-1-yl)phosphoryl]amino]propanoate?
The InChIKey is ABRWPTVNGOYSMK-QHIQZGGMSA-N. The full InChI is InChI=1S/C13H25N2O5P/c1-10(2)20-13(17)11(3)14-21(18,9-19-4)15-8-6-5-7-12(15)16/h10-11H,5-9H2,1-4H3,(H,14,18)/t11-,21?/m0/s1.
What are the key properties of propan-2-yl (2S)-2-[[methoxymethyl-(2-oxopiperidin-1-yl)phosphoryl]amino]propanoate?
propan-2-yl (2S)-2-[[methoxymethyl-(2-oxopiperidin-1-yl)phosphoryl]amino]propanoate has a molecular weight of 320.33 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-[[methoxymethyl-(2-oxopiperidin-1-yl)phosphoryl]amino]propanoate is sourced from PubChem (CID 130324120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).