tert-butyl N-[[(3S)-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate

C16H25N3O3 — CID 97174691

IUPACtert-butyl N-[[(3S)-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CCN(CC(=O)c2ccc[nH]2)C1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(21)18-9-12-6-8-19(10-12)11-14(20)13-5-4-7-17-13/h4-5,7,12,17H,6,8-11H2,1-3H3,(H,18,21)/t12-/m0/s1
InChIKeyHBQURFFEQSCJJC-LBPRGKRZSA-N
MW307.39 g/mol
LogP2.04
Rot. Bonds5

About tert-butyl N-[[(3S)-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate

tert-butyl N-[[(3S)-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate (PubChem CID 97174691) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl N-[[(3S)-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3S)-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate
PubChem CID97174691
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nametert-butyl N-[[(3S)-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CCN(CC(=O)c2ccc[nH]2)C1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(21)18-9-12-6-8-19(10-12)11-14(20)13-5-4-7-17-13/h4-5,7,12,17H,6,8-11H2,1-3H3,(H,18,21)/t12-/m0/s1
InChIKeyHBQURFFEQSCJJC-LBPRGKRZSA-N
XLogP2.04
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[(3S)-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate with MolForge

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Related Compounds

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tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
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tert-butyl N-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]methyl]carbamate
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tert-butyl N-[[(3R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-3-yl]methyl]carbamate
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2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
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2-(3-methoxypyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
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tert-butyl 3-[[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate
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tert-butyl N-[[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate
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tert-butyl N-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]carbamate
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tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate
CID 83981043
tert-butyl N-[[(3S)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]piperidin-3-yl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3S)-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(3S)-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate (CID 97174691) is tert-butyl N-[[(3S)-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(3S)-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(3S)-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@@H]1CCN(CC(=O)c2ccc[nH]2)C1.
What is the InChIKey of tert-butyl N-[[(3S)-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate?
The InChIKey is HBQURFFEQSCJJC-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-16(2,3)22-15(21)18-9-12-6-8-19(10-12)11-14(20)13-5-4-7-17-13/h4-5,7,12,17H,6,8-11H2,1-3H3,(H,18,21)/t12-/m0/s1.
What are the key properties of tert-butyl N-[[(3S)-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate?
tert-butyl N-[[(3S)-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate has a molecular weight of 307.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3S)-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate is sourced from PubChem (CID 97174691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).