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

C13H24N2O3 — CID 23245298

IUPACtert-butyl N-[(2S)-2-[(3R)-2-oxopyrrolidin-3-yl]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)[C@H]1CCNC1=O
InChIInChI=1S/C13H24N2O3/c1-5-9(10-6-7-14-11(10)16)8-15-12(17)18-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,14,16)(H,15,17)/t9?,10-/m1/s1
InChIKeyVRPMBGKKNXIXEI-QVDQXJPCSA-N
MW256.35 g/mol
LogP1.67
Rot. Bonds4

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

tert-butyl N-[(2S)-2-[(3R)-2-oxopyrrolidin-3-yl]butyl]carbamate (PubChem CID 23245298) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-[(3R)-2-oxopyrrolidin-3-yl]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-[(3R)-2-oxopyrrolidin-3-yl]butyl]carbamate
PubChem CID23245298
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl N-[(2S)-2-[(3R)-2-oxopyrrolidin-3-yl]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)[C@H]1CCNC1=O
InChIInChI=1S/C13H24N2O3/c1-5-9(10-6-7-14-11(10)16)8-15-12(17)18-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,14,16)(H,15,17)/t9?,10-/m1/s1
InChIKeyVRPMBGKKNXIXEI-QVDQXJPCSA-N
XLogP1.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2-oxopyrrolidin-3-yl)methyl]carbamate
CID 105467597
tert-butyl N-(2-piperidin-4-yloxybutyl)carbamate
CID 176922632
tert-butyl N-[(2R,4S)-4-methyl-2-piperidin-4-ylhexyl]carbamate
CID 95241766
tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate
CID 10774403
tert-butyl N-(3-amino-2-cyclopropylpropyl)carbamate
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tert-butyl N-[2-(3-oxopiperazin-2-yl)ethyl]carbamate
CID 83670569
tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate
CID 103785747
tert-butyl N-[2-(pyrrolidin-2-ylmethylamino)butyl]carbamate
CID 107250997
ethane;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoate
CID 142046248
tert-butyl N-[(2R)-4,4-dimethyl-2-[(2S)-piperidin-2-yl]pentyl]carbamate
CID 95241678
tert-butyl N-(4,4-dimethyl-2-piperidin-2-ylpentyl)carbamate
CID 54593220
tert-butyl N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]carbamate
CID 166157042

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-[(3R)-2-oxopyrrolidin-3-yl]butyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-[(3R)-2-oxopyrrolidin-3-yl]butyl]carbamate (CID 23245298) is tert-butyl N-[(2S)-2-[(3R)-2-oxopyrrolidin-3-yl]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-[(3R)-2-oxopyrrolidin-3-yl]butyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-[(3R)-2-oxopyrrolidin-3-yl]butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)[C@H]1CCNC1=O.
What is the InChIKey of tert-butyl N-[(2S)-2-[(3R)-2-oxopyrrolidin-3-yl]butyl]carbamate?
The InChIKey is VRPMBGKKNXIXEI-QVDQXJPCSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-9(10-6-7-14-11(10)16)8-15-12(17)18-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,14,16)(H,15,17)/t9?,10-/m1/s1.
What are the key properties of tert-butyl N-[(2S)-2-[(3R)-2-oxopyrrolidin-3-yl]butyl]carbamate?
tert-butyl N-[(2S)-2-[(3R)-2-oxopyrrolidin-3-yl]butyl]carbamate has a molecular weight of 256.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-[(3R)-2-oxopyrrolidin-3-yl]butyl]carbamate is sourced from PubChem (CID 23245298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).