methyl N-[1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]carbamate

C9H18N2O3 — CID 106932880

IUPACmethyl N-[1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(C[C@@H](C)O)C1
InChIInChI=1S/C9H18N2O3/c1-7(12)5-11-4-3-8(6-11)10-9(13)14-2/h7-8,12H,3-6H2,1-2H3,(H,10,13)/t7-,8?/m1/s1
InChIKeyFRFFPHDGGLQBEK-GVHYBUMESA-N
MW202.25 g/mol
LogP-0.20
Rot. Bonds3

About methyl N-[1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]carbamate

methyl N-[1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]carbamate (PubChem CID 106932880) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl N-[1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]carbamate
PubChem CID106932880
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl N-[1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(C[C@@H](C)O)C1
InChIInChI=1S/C9H18N2O3/c1-7(12)5-11-4-3-8(6-11)10-9(13)14-2/h7-8,12H,3-6H2,1-2H3,(H,10,13)/t7-,8?/m1/s1
InChIKeyFRFFPHDGGLQBEK-GVHYBUMESA-N
XLogP-0.20
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-3-yl]carbamate
CID 113402577
methyl N-(1-ethylpyrrolidin-3-yl)carbamate
CID 67579436
tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate
CID 86330277
tert-butyl N-[1-(2-methylpropyl)pyrrolidin-3-yl]carbamate
CID 75993976
methyl 2-hydroxy-3-[3-(methoxycarbonylamino)pyrrolidin-1-yl]-2-methylpropanoate
CID 113402427
methyl N-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]carbamate
CID 113402602
methyl N-[1-[2-(2-aminoethylamino)-2-oxoethyl]pyrrolidin-3-yl]carbamate
CID 113402132
methyl N-[1-(2-oxoethyl)piperidin-4-yl]carbamate
CID 54147473
methyl N-[1-(2,2-dimethylpropyl)piperidin-4-yl]carbamate
CID 168761202
propan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate
CID 116657633
tert-butyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]carbamate
CID 111487928
methyl N-(1-ethylazepan-4-yl)carbamate
CID 166167554

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]carbamate (CID 106932880) is methyl N-[1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]carbamate is COC(=O)NC1CCN(C[C@@H](C)O)C1.
What is the InChIKey of methyl N-[1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]carbamate?
The InChIKey is FRFFPHDGGLQBEK-GVHYBUMESA-N. The full InChI is InChI=1S/C9H18N2O3/c1-7(12)5-11-4-3-8(6-11)10-9(13)14-2/h7-8,12H,3-6H2,1-2H3,(H,10,13)/t7-,8?/m1/s1.
What are the key properties of methyl N-[1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]carbamate?
methyl N-[1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]carbamate has a molecular weight of 202.25 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 106932880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).