tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate

C9H16N2O3 — CID 10774403

IUPACtert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCNC1=O
InChIInChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-6-4-5-10-7(6)12/h6H,4-5H2,1-3H3,(H,10,12)(H,11,13)/t6-/m1/s1
InChIKeyDVWCHAUBYVZILO-ZCFIWIBFSA-N
MW200.24 g/mol
LogP0.40
Rot. Bonds1

About tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate

tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate (PubChem CID 10774403) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate
PubChem CID10774403
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nametert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCNC1=O
InChIInChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-6-4-5-10-7(6)12/h6H,4-5H2,1-3H3,(H,10,12)(H,11,13)/t6-/m1/s1
InChIKeyDVWCHAUBYVZILO-ZCFIWIBFSA-N
XLogP0.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-(5-oxo-1,4-thiazocan-6-yl)carbamate;molecular hydrogen
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tert-butyl N-(3-hydroxy-2-oxopiperidin-4-yl)carbamate
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tert-butyl N-[(4Z)-8-oxo-2,3,6,7-tetrahydro-1H-azocin-7-yl]carbamate
CID 141194832
tert-butyl N-[(6S)-6-methyl-2-oxopiperidin-3-yl]carbamate
CID 155351163
tert-butyl N-[(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamate
CID 166571691
tert-butyl N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]carbamate
CID 23657246
tert-butyl N-[(3S,4R)-2-oxo-4-propan-2-ylpiperidin-3-yl]carbamate
CID 95654557
tert-butyl N-(6,6-dimethyl-2-oxopiperidin-3-yl)carbamate
CID 166816959
tert-butyl N-[(3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxoazepan-3-yl]carbamate
CID 11728063
3,3-dimethyl-N-[(3S)-2-oxopyrrolidin-3-yl]butanamide
CID 58432563
tert-butyl N-[(2S,3S)-2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate (CID 10774403) is tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCNC1=O.
What is the InChIKey of tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate?
The InChIKey is DVWCHAUBYVZILO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-6-4-5-10-7(6)12/h6H,4-5H2,1-3H3,(H,10,12)(H,11,13)/t6-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate has a molecular weight of 200.24 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 10774403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).