ethyl (2R)-3-diethoxyphosphoryl-2-formamidopropanoate

C10H20NO6P — CID 102070420

IUPACethyl (2R)-3-diethoxyphosphoryl-2-formamidopropanoate
SMILESCCOC(=O)[C@H](CP(=O)(OCC)OCC)NC=O
InChIInChI=1S/C10H20NO6P/c1-4-15-10(13)9(11-8-12)7-18(14,16-5-2)17-6-3/h8-9H,4-7H2,1-3H3,(H,11,12)/t9-/m0/s1
InChIKeyBVCSQXVAUKVPOE-VIFPVBQESA-N
MW281.25 g/mol
LogP0.93
Rot. Bonds10

About ethyl (2R)-3-diethoxyphosphoryl-2-formamidopropanoate

ethyl (2R)-3-diethoxyphosphoryl-2-formamidopropanoate (PubChem CID 102070420) has the molecular formula C10H20NO6P and a molecular weight of 281.25 g/mol. Its IUPAC name is ethyl (2R)-3-diethoxyphosphoryl-2-formamidopropanoate.

Molecular Properties

Compound Nameethyl (2R)-3-diethoxyphosphoryl-2-formamidopropanoate
PubChem CID102070420
Molecular FormulaC10H20NO6P
Molecular Weight281.25 g/mol
Exact Mass281.10
IUPAC Nameethyl (2R)-3-diethoxyphosphoryl-2-formamidopropanoate
SMILESCCOC(=O)[C@H](CP(=O)(OCC)OCC)NC=O
InChIInChI=1S/C10H20NO6P/c1-4-15-10(13)9(11-8-12)7-18(14,16-5-2)17-6-3/h8-9H,4-7H2,1-3H3,(H,11,12)/t9-/m0/s1
InChIKeyBVCSQXVAUKVPOE-VIFPVBQESA-N
XLogP0.93
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-diethoxyphosphoryl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 101030133
ethyl 5-diethoxyphosphoryl-2-formamidopent-3-enoate
CID 54022303
ethyl (2S)-2-formamido-4-methylpentanoate
CID 54441995
ethyl 2-formamido-5-methylhex-4-enoate
CID 10465363
ethyl (2S)-6-amino-2-formamidohexanoate
CID 57231978
1-diethoxyphosphoryl-2-methylhexan-3-one
CID 102517831
ethyl (2S)-4-cyano-2-formamidobutanoate
CID 131857866
ethyl (2S)-2-formamido-3-phenylpropanoate
CID 10198363
ethyl 2-(diethoxyphosphorylmethyl)-4-oxohexanoate
CID 132563183
ethyl (2S)-5-(diaminomethylideneamino)-2-formamidopentanoate;hydrochloride
CID 141184905
ethyl (E)-4-benzyl-5-diethoxyphosphoryl-2-formamidopent-3-enoate
CID 86745092
diethyl 2-(2-diethoxyphosphorylethyl)propanedioate
CID 174999001

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-3-diethoxyphosphoryl-2-formamidopropanoate?
The IUPAC name of ethyl (2R)-3-diethoxyphosphoryl-2-formamidopropanoate (CID 102070420) is ethyl (2R)-3-diethoxyphosphoryl-2-formamidopropanoate.
What is the SMILES notation for ethyl (2R)-3-diethoxyphosphoryl-2-formamidopropanoate?
The canonical SMILES for ethyl (2R)-3-diethoxyphosphoryl-2-formamidopropanoate is CCOC(=O)[C@H](CP(=O)(OCC)OCC)NC=O.
What is the InChIKey of ethyl (2R)-3-diethoxyphosphoryl-2-formamidopropanoate?
The InChIKey is BVCSQXVAUKVPOE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20NO6P/c1-4-15-10(13)9(11-8-12)7-18(14,16-5-2)17-6-3/h8-9H,4-7H2,1-3H3,(H,11,12)/t9-/m0/s1.
What are the key properties of ethyl (2R)-3-diethoxyphosphoryl-2-formamidopropanoate?
ethyl (2R)-3-diethoxyphosphoryl-2-formamidopropanoate has a molecular weight of 281.25 g/mol, XLogP of 0.93, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-3-diethoxyphosphoryl-2-formamidopropanoate is sourced from PubChem (CID 102070420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).