phosphanylmethyl 1-(2-amino-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate

C12H23N2O3P — CID 70822851

IUPACphosphanylmethyl 1-(2-amino-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
SMILESCC(C)(C)C(N)C(=O)N1CCCC1C(=O)OCP
InChIInChI=1S/C12H23N2O3P/c1-12(2,3)9(13)10(15)14-6-4-5-8(14)11(16)17-7-18/h8-9H,4-7,13,18H2,1-3H3
InChIKeyUBIHJJOCAPANRH-UHFFFAOYSA-N
MW274.30 g/mol
LogP0.73
Rot. Bonds3

About phosphanylmethyl 1-(2-amino-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate

phosphanylmethyl 1-(2-amino-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate (PubChem CID 70822851) has the molecular formula C12H23N2O3P and a molecular weight of 274.30 g/mol. Its IUPAC name is phosphanylmethyl 1-(2-amino-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namephosphanylmethyl 1-(2-amino-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
PubChem CID70822851
Molecular FormulaC12H23N2O3P
Molecular Weight274.30 g/mol
Exact Mass274.14
IUPAC Namephosphanylmethyl 1-(2-amino-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
SMILESCC(C)(C)C(N)C(=O)N1CCCC1C(=O)OCP
InChIInChI=1S/C12H23N2O3P/c1-12(2,3)9(13)10(15)14-6-4-5-8(14)11(16)17-7-18/h8-9H,4-7,13,18H2,1-3H3
InChIKeyUBIHJJOCAPANRH-UHFFFAOYSA-N
XLogP0.73
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-2-carboxylate
CID 103929382
benzyl 1-(2-amino-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
CID 68762366
1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide
CID 76894481
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 68920514
(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 61165533
2-[1-[(2R)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]acetic acid
CID 103929702
(2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-(1-cyclobutyl-3-oxopropan-2-yl)pyrrolidine-2-carboxamide
CID 143358839
ethyl 4-(2-amino-3,3-dimethylbutanoyl)thiomorpholine-3-carboxylate
CID 76895081
ethyl 4-[(2S)-2-amino-3,3-dimethylbutanoyl]thiomorpholine-3-carboxylate
CID 61165038
(2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-(1-oxohexan-2-yl)pyrrolidine-2-carboxamide
CID 143356919
ethyl 1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylate
CID 143105469
ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 78958335

Frequently Asked Questions

What is the IUPAC name of phosphanylmethyl 1-(2-amino-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of phosphanylmethyl 1-(2-amino-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate (CID 70822851) is phosphanylmethyl 1-(2-amino-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for phosphanylmethyl 1-(2-amino-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for phosphanylmethyl 1-(2-amino-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate is CC(C)(C)C(N)C(=O)N1CCCC1C(=O)OCP.
What is the InChIKey of phosphanylmethyl 1-(2-amino-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate?
The InChIKey is UBIHJJOCAPANRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N2O3P/c1-12(2,3)9(13)10(15)14-6-4-5-8(14)11(16)17-7-18/h8-9H,4-7,13,18H2,1-3H3.
What are the key properties of phosphanylmethyl 1-(2-amino-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate?
phosphanylmethyl 1-(2-amino-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate has a molecular weight of 274.30 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanylmethyl 1-(2-amino-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 70822851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).