methyl 2-hydroxy-3-[3-(methoxycarbonylamino)pyrrolidin-1-yl]-2-methylpropanoate

C11H20N2O5 — CID 113402427

IUPACmethyl 2-hydroxy-3-[3-(methoxycarbonylamino)pyrrolidin-1-yl]-2-methylpropanoate
SMILESCOC(=O)NC1CCN(CC(C)(O)C(=O)OC)C1
InChIInChI=1S/C11H20N2O5/c1-11(16,9(14)17-2)7-13-5-4-8(6-13)12-10(15)18-3/h8,16H,4-7H2,1-3H3,(H,12,15)
InChIKeyHYFKGRUGOFXFHQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.66
Rot. Bonds4

About methyl 2-hydroxy-3-[3-(methoxycarbonylamino)pyrrolidin-1-yl]-2-methylpropanoate

methyl 2-hydroxy-3-[3-(methoxycarbonylamino)pyrrolidin-1-yl]-2-methylpropanoate (PubChem CID 113402427) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[3-(methoxycarbonylamino)pyrrolidin-1-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[3-(methoxycarbonylamino)pyrrolidin-1-yl]-2-methylpropanoate
PubChem CID113402427
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Namemethyl 2-hydroxy-3-[3-(methoxycarbonylamino)pyrrolidin-1-yl]-2-methylpropanoate
SMILESCOC(=O)NC1CCN(CC(C)(O)C(=O)OC)C1
InChIInChI=1S/C11H20N2O5/c1-11(16,9(14)17-2)7-13-5-4-8(6-13)12-10(15)18-3/h8,16H,4-7H2,1-3H3,(H,12,15)
InChIKeyHYFKGRUGOFXFHQ-UHFFFAOYSA-N
XLogP-0.66
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-(1-ethylpyrrolidin-3-yl)carbamate
CID 67579436
methyl N-[1-(2,2-dimethylpropyl)piperidin-4-yl]carbamate
CID 168761202
methyl N-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]carbamate
CID 113402602
tert-butyl N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate
CID 167448349
methyl N-[1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]carbamate
CID 106932880
tert-butyl N-[(3R)-1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]carbamate
CID 171852591
methyl N-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-3-yl]carbamate
CID 113402577
methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-hydroxy-2-methylpropanoate
CID 103535263
tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate
CID 59535746
tert-butyl N-[(3S)-1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66565985
methyl 2-hydroxy-2-methyl-3-[3-(methylcarbamoyl)piperidin-1-yl]propanoate
CID 103196579
N-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetamide
CID 58877738

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[3-(methoxycarbonylamino)pyrrolidin-1-yl]-2-methylpropanoate?
The IUPAC name of methyl 2-hydroxy-3-[3-(methoxycarbonylamino)pyrrolidin-1-yl]-2-methylpropanoate (CID 113402427) is methyl 2-hydroxy-3-[3-(methoxycarbonylamino)pyrrolidin-1-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[3-(methoxycarbonylamino)pyrrolidin-1-yl]-2-methylpropanoate?
The canonical SMILES for methyl 2-hydroxy-3-[3-(methoxycarbonylamino)pyrrolidin-1-yl]-2-methylpropanoate is COC(=O)NC1CCN(CC(C)(O)C(=O)OC)C1.
What is the InChIKey of methyl 2-hydroxy-3-[3-(methoxycarbonylamino)pyrrolidin-1-yl]-2-methylpropanoate?
The InChIKey is HYFKGRUGOFXFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-11(16,9(14)17-2)7-13-5-4-8(6-13)12-10(15)18-3/h8,16H,4-7H2,1-3H3,(H,12,15).
What are the key properties of methyl 2-hydroxy-3-[3-(methoxycarbonylamino)pyrrolidin-1-yl]-2-methylpropanoate?
methyl 2-hydroxy-3-[3-(methoxycarbonylamino)pyrrolidin-1-yl]-2-methylpropanoate has a molecular weight of 260.29 g/mol, XLogP of -0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[3-(methoxycarbonylamino)pyrrolidin-1-yl]-2-methylpropanoate is sourced from PubChem (CID 113402427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).