[(2S)-2-propan-2-yloxycarbonylpyrrolidin-1-yl]methylphosphonic acid

C9H18NO5P — CID 25153972

IUPAC[(2S)-2-propan-2-yloxycarbonylpyrrolidin-1-yl]methylphosphonic acid
SMILESCC(C)OC(=O)[C@@H]1CCCN1CP(=O)(O)O
InChIInChI=1S/C9H18NO5P/c1-7(2)15-9(11)8-4-3-5-10(8)6-16(12,13)14/h7-8H,3-6H2,1-2H3,(H2,12,13,14)/t8-/m0/s1
InChIKeyBRSGKRZAUDGBAD-QMMMGPOBSA-N
MW251.22 g/mol
LogP0.54
Rot. Bonds4

About [(2S)-2-propan-2-yloxycarbonylpyrrolidin-1-yl]methylphosphonic acid

[(2S)-2-propan-2-yloxycarbonylpyrrolidin-1-yl]methylphosphonic acid (PubChem CID 25153972) has the molecular formula C9H18NO5P and a molecular weight of 251.22 g/mol. Its IUPAC name is [(2S)-2-propan-2-yloxycarbonylpyrrolidin-1-yl]methylphosphonic acid.

Molecular Properties

Compound Name[(2S)-2-propan-2-yloxycarbonylpyrrolidin-1-yl]methylphosphonic acid
PubChem CID25153972
Molecular FormulaC9H18NO5P
Molecular Weight251.22 g/mol
Exact Mass251.09
IUPAC Name[(2S)-2-propan-2-yloxycarbonylpyrrolidin-1-yl]methylphosphonic acid
SMILESCC(C)OC(=O)[C@@H]1CCCN1CP(=O)(O)O
InChIInChI=1S/C9H18NO5P/c1-7(2)15-9(11)8-4-3-5-10(8)6-16(12,13)14/h7-8H,3-6H2,1-2H3,(H2,12,13,14)/t8-/m0/s1
InChIKeyBRSGKRZAUDGBAD-QMMMGPOBSA-N
XLogP0.54
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 1-propylpiperidine-2-carboxylate
CID 83982135
(2S)-1-[[(2S)-2-propan-2-yloxycarbonylaziridin-1-yl]methyl]pyrrolidine-2-carboxylic acid
CID 134896859
methyl 1-(2-oxo-2-propan-2-yloxyethyl)pyrrolidine-2-carboxylate
CID 62028449
propan-2-yl (2R)-1-acetylpyrrolidine-2-carboxylate
CID 131843971
ethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate
CID 115538768
propan-2-yl 2-(2-cyclopentylpyrrolidin-1-yl)acetate
CID 61068973
methyl 1-(cyclopropylmethyl)pyrrolidine-2-carboxylate
CID 62026927
tert-butyl (2S)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-2-carboxylate
CID 103773648
cis-dipropan-2-yl (1S,2R)-cyclohexane-1,2-dicarboxylate
CID 14849276
ethane;propan-2-yl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 143059682
propan-2-yl 1-methylpiperazine-2-carboxylate
CID 175918084
methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate
CID 121475348

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-propan-2-yloxycarbonylpyrrolidin-1-yl]methylphosphonic acid?
The IUPAC name of [(2S)-2-propan-2-yloxycarbonylpyrrolidin-1-yl]methylphosphonic acid (CID 25153972) is [(2S)-2-propan-2-yloxycarbonylpyrrolidin-1-yl]methylphosphonic acid.
What is the SMILES notation for [(2S)-2-propan-2-yloxycarbonylpyrrolidin-1-yl]methylphosphonic acid?
The canonical SMILES for [(2S)-2-propan-2-yloxycarbonylpyrrolidin-1-yl]methylphosphonic acid is CC(C)OC(=O)[C@@H]1CCCN1CP(=O)(O)O.
What is the InChIKey of [(2S)-2-propan-2-yloxycarbonylpyrrolidin-1-yl]methylphosphonic acid?
The InChIKey is BRSGKRZAUDGBAD-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18NO5P/c1-7(2)15-9(11)8-4-3-5-10(8)6-16(12,13)14/h7-8H,3-6H2,1-2H3,(H2,12,13,14)/t8-/m0/s1.
What are the key properties of [(2S)-2-propan-2-yloxycarbonylpyrrolidin-1-yl]methylphosphonic acid?
[(2S)-2-propan-2-yloxycarbonylpyrrolidin-1-yl]methylphosphonic acid has a molecular weight of 251.22 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-propan-2-yloxycarbonylpyrrolidin-1-yl]methylphosphonic acid is sourced from PubChem (CID 25153972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).