methyl N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate

C10H18N2O4 — CID 70317930

IUPACmethyl N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
SMILESCOC[C@@H]1CCCN1C(=O)CNC(=O)OC
InChIInChI=1S/C10H18N2O4/c1-15-7-8-4-3-5-12(8)9(13)6-11-10(14)16-2/h8H,3-7H2,1-2H3,(H,11,14)/t8-/m0/s1
InChIKeyKWNUURNATJLXEC-QMMMGPOBSA-N
MW230.26 g/mol
LogP-0.02
Rot. Bonds4

About methyl N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate

methyl N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 70317930) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
PubChem CID70317930
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namemethyl N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
SMILESCOC[C@@H]1CCCN1C(=O)CNC(=O)OC
InChIInChI=1S/C10H18N2O4/c1-15-7-8-4-3-5-12(8)9(13)6-11-10(14)16-2/h8H,3-7H2,1-2H3,(H,11,14)/t8-/m0/s1
InChIKeyKWNUURNATJLXEC-QMMMGPOBSA-N
XLogP-0.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-oxo-2-(2-propylpyrrolidin-1-yl)ethyl]carbamate
CID 144841415
1-[2-(methoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 83624640
1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one
CID 70853461
3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 83624626
tert-butyl N-[2-oxo-2-[2-(sulfanylmethyl)pyrrolidin-1-yl]ethyl]carbamate
CID 20623549
ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexadecan-1-one
CID 170241692
2-(methoxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 110874580
4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 129359557
2-azido-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 121201498
CID 166480351
CID 166480351
(3Z,4Z,6E)-3-ethylidene-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-5-methylocta-4,6-dien-1-one
CID 142986757

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate (CID 70317930) is methyl N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate is COC[C@@H]1CCCN1C(=O)CNC(=O)OC.
What is the InChIKey of methyl N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is KWNUURNATJLXEC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-15-7-8-4-3-5-12(8)9(13)6-11-10(14)16-2/h8H,3-7H2,1-2H3,(H,11,14)/t8-/m0/s1.
What are the key properties of methyl N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?
methyl N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 230.26 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 70317930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).