benzyl (2S)-2-dimethoxyphosphorylcarbonylpyrrolidine-1-carboxylate

C15H20NO6P — CID 165341202

IUPACbenzyl (2S)-2-dimethoxyphosphorylcarbonylpyrrolidine-1-carboxylate
SMILESCOP(=O)(OC)C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H20NO6P/c1-20-23(19,21-2)14(17)13-9-6-10-16(13)15(18)22-11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3/t13-/m0/s1
InChIKeyZGTCACYJLNOXAG-ZDUSSCGKSA-N
MW341.30 g/mol
LogP2.80
Rot. Bonds6

About benzyl (2S)-2-dimethoxyphosphorylcarbonylpyrrolidine-1-carboxylate

benzyl (2S)-2-dimethoxyphosphorylcarbonylpyrrolidine-1-carboxylate (PubChem CID 165341202) has the molecular formula C15H20NO6P and a molecular weight of 341.30 g/mol. Its IUPAC name is benzyl (2S)-2-dimethoxyphosphorylcarbonylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-dimethoxyphosphorylcarbonylpyrrolidine-1-carboxylate
PubChem CID165341202
Molecular FormulaC15H20NO6P
Molecular Weight341.30 g/mol
Exact Mass341.10
IUPAC Namebenzyl (2S)-2-dimethoxyphosphorylcarbonylpyrrolidine-1-carboxylate
SMILESCOP(=O)(OC)C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H20NO6P/c1-20-23(19,21-2)14(17)13-9-6-10-16(13)15(18)22-11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3/t13-/m0/s1
InChIKeyZGTCACYJLNOXAG-ZDUSSCGKSA-N
XLogP2.80
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl (2R)-2-acetylpiperidine-1-carboxylate
CID 89477385
methyl (2S)-1-[(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 118687273
methyl (2S)-1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 12859190
benzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate
CID 10869549
benzyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357682
1-O-benzyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane;2-methylprop-1-ene
CID 143105082
benzyl (2S)-2-(dimethoxyphosphorylmethyl)pyrrolidine-1-carboxylate
CID 10592285
benzyl 2-dimethoxyphosphorylpiperidine-1-carboxylate
CID 10734957
[amino-(1-phenylmethoxycarbonylpyrrolidin-2-yl)methylidene]azanium chloride
CID 135905283
benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 667614
benzyl 2-(2-acetyl-3-oxobutanoyl)pyrrolidine-1-carboxylate
CID 59850464
1-O-benzyl 2-O-propyl pyrrolidine-1,2-dicarboxylate
CID 91699700

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-dimethoxyphosphorylcarbonylpyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-dimethoxyphosphorylcarbonylpyrrolidine-1-carboxylate (CID 165341202) is benzyl (2S)-2-dimethoxyphosphorylcarbonylpyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-dimethoxyphosphorylcarbonylpyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-dimethoxyphosphorylcarbonylpyrrolidine-1-carboxylate is COP(=O)(OC)C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-dimethoxyphosphorylcarbonylpyrrolidine-1-carboxylate?
The InChIKey is ZGTCACYJLNOXAG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20NO6P/c1-20-23(19,21-2)14(17)13-9-6-10-16(13)15(18)22-11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3/t13-/m0/s1.
What are the key properties of benzyl (2S)-2-dimethoxyphosphorylcarbonylpyrrolidine-1-carboxylate?
benzyl (2S)-2-dimethoxyphosphorylcarbonylpyrrolidine-1-carboxylate has a molecular weight of 341.30 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-dimethoxyphosphorylcarbonylpyrrolidine-1-carboxylate is sourced from PubChem (CID 165341202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).