methyl (2R)-2-amino-4-oxo-5-(oxo-λ5-phosphanylidyne)pentanoate

C6H8NO4P — CID 154634525

IUPACmethyl (2R)-2-amino-4-oxo-5-(oxo-λ5-phosphanylidyne)pentanoate
SMILESCOC(=O)[C@H](N)CC(=O)C#P=O
InChIInChI=1S/C6H8NO4P/c1-11-6(9)5(7)2-4(8)3-12-10/h5H,2,7H2,1H3/t5-/m1/s1
InChIKeyDBTSJUPYBLBBIM-RXMQYKEDSA-N
MW189.11 g/mol
LogP-0.30
Rot. Bonds3

About methyl (2R)-2-amino-4-oxo-5-(oxo-λ5-phosphanylidyne)pentanoate

methyl (2R)-2-amino-4-oxo-5-(oxo-λ5-phosphanylidyne)pentanoate (PubChem CID 154634525) has the molecular formula C6H8NO4P and a molecular weight of 189.11 g/mol. Its IUPAC name is methyl (2R)-2-amino-4-oxo-5-(oxo-λ5-phosphanylidyne)pentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-4-oxo-5-(oxo-λ5-phosphanylidyne)pentanoate
PubChem CID154634525
Molecular FormulaC6H8NO4P
Molecular Weight189.11 g/mol
Exact Mass189.02
IUPAC Namemethyl (2R)-2-amino-4-oxo-5-(oxo-λ5-phosphanylidyne)pentanoate
SMILESCOC(=O)[C@H](N)CC(=O)C#P=O
InChIInChI=1S/C6H8NO4P/c1-11-6(9)5(7)2-4(8)3-12-10/h5H,2,7H2,1H3/t5-/m1/s1
InChIKeyDBTSJUPYBLBBIM-RXMQYKEDSA-N
XLogP-0.30
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.11
LogP ≤ 5-0.30
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

dimethyl (2R)-2-aminobutanedioate
CID 6994535
methyl (2S)-2-amino-3-hydroxypropanoate
CID 2723731
dimethyl (2S)-2-amino(1,2,3,4,5-13C5)pentanedioate
CID 171381659
methyl 2-amino-5,5-dimethyl-4-oxohexanoate;hydrochloride
CID 105481491
methyl (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;hydrochloride
CID 44717556
methyl 2-amino-3-hydroxypropanoate;hydrochloride
CID 517373
methyl (2S)-2-amino-3-methoxypropanoate
CID 11182627
methyl 2-amino-3-selanylpropanoate
CID 174947260
methyl (2R)-2-amino-3-[[(2R)-2-amino-3-methoxy-3-oxopropyl]ditellanyl]propanoate
CID 10813791
bis(methyl (2S)-2-aminobutanoate);dihydrochloride
CID 174939060
methyl (2R)-2-amino-4-fluorobutanoate
CID 124512753
methyl 2-amino-3-[(2-amino-3-methoxy-3-oxopropyl)disulfanyl]propanoate
CID 14043

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-4-oxo-5-(oxo-λ5-phosphanylidyne)pentanoate?
The IUPAC name of methyl (2R)-2-amino-4-oxo-5-(oxo-λ5-phosphanylidyne)pentanoate (CID 154634525) is methyl (2R)-2-amino-4-oxo-5-(oxo-λ5-phosphanylidyne)pentanoate.
What is the SMILES notation for methyl (2R)-2-amino-4-oxo-5-(oxo-λ5-phosphanylidyne)pentanoate?
The canonical SMILES for methyl (2R)-2-amino-4-oxo-5-(oxo-λ5-phosphanylidyne)pentanoate is COC(=O)[C@H](N)CC(=O)C#P=O.
What is the InChIKey of methyl (2R)-2-amino-4-oxo-5-(oxo-λ5-phosphanylidyne)pentanoate?
The InChIKey is DBTSJUPYBLBBIM-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H8NO4P/c1-11-6(9)5(7)2-4(8)3-12-10/h5H,2,7H2,1H3/t5-/m1/s1.
What are the key properties of methyl (2R)-2-amino-4-oxo-5-(oxo-λ5-phosphanylidyne)pentanoate?
methyl (2R)-2-amino-4-oxo-5-(oxo-λ5-phosphanylidyne)pentanoate has a molecular weight of 189.11 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-4-oxo-5-(oxo-λ5-phosphanylidyne)pentanoate is sourced from PubChem (CID 154634525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).