tert-butyl N-[(3S)-1-(6-amino-4-chloro-2-pyridinyl)-2-oxopyrrolidin-3-yl]carbamate

C14H19ClN4O3 — CID 158748267

IUPACtert-butyl N-[(3S)-1-(6-amino-4-chloro-2-pyridinyl)-2-oxopyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCN(c2cc(Cl)cc(N)n2)C1=O
InChIInChI=1S/C14H19ClN4O3/c1-14(2,3)22-13(21)17-9-4-5-19(12(9)20)11-7-8(15)6-10(16)18-11/h6-7,9H,4-5H2,1-3H3,(H2,16,18)(H,17,21)/t9-/m0/s1
InChIKeyHLNBVEAPHTXZKY-VIFPVBQESA-N
MW326.78 g/mol
LogP1.95
Rot. Bonds2

About tert-butyl N-[(3S)-1-(6-amino-4-chloro-2-pyridinyl)-2-oxopyrrolidin-3-yl]carbamate

tert-butyl N-[(3S)-1-(6-amino-4-chloro-2-pyridinyl)-2-oxopyrrolidin-3-yl]carbamate (PubChem CID 158748267) has the molecular formula C14H19ClN4O3 and a molecular weight of 326.78 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-(6-amino-4-chloro-2-pyridinyl)-2-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-(6-amino-4-chloro-2-pyridinyl)-2-oxopyrrolidin-3-yl]carbamate
PubChem CID158748267
Molecular FormulaC14H19ClN4O3
Molecular Weight326.78 g/mol
Exact Mass326.11
IUPAC Nametert-butyl N-[(3S)-1-(6-amino-4-chloro-2-pyridinyl)-2-oxopyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCN(c2cc(Cl)cc(N)n2)C1=O
InChIInChI=1S/C14H19ClN4O3/c1-14(2,3)22-13(21)17-9-4-5-19(12(9)20)11-7-8(15)6-10(16)18-11/h6-7,9H,4-5H2,1-3H3,(H2,16,18)(H,17,21)/t9-/m0/s1
InChIKeyHLNBVEAPHTXZKY-VIFPVBQESA-N
XLogP1.95
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate
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tert-butyl N-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-4-yl]carbamate
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tert-butyl N-[(3S)-1-[4-[(1S)-1-(dimethylamino)ethyl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]carbamate
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tert-butyl N-[(3S)-1-[(1-chloro-6-methoxyisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-(6-amino-4-chloro-2-pyridinyl)-2-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-(6-amino-4-chloro-2-pyridinyl)-2-oxopyrrolidin-3-yl]carbamate (CID 158748267) is tert-butyl N-[(3S)-1-(6-amino-4-chloro-2-pyridinyl)-2-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-(6-amino-4-chloro-2-pyridinyl)-2-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-(6-amino-4-chloro-2-pyridinyl)-2-oxopyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCN(c2cc(Cl)cc(N)n2)C1=O.
What is the InChIKey of tert-butyl N-[(3S)-1-(6-amino-4-chloro-2-pyridinyl)-2-oxopyrrolidin-3-yl]carbamate?
The InChIKey is HLNBVEAPHTXZKY-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19ClN4O3/c1-14(2,3)22-13(21)17-9-4-5-19(12(9)20)11-7-8(15)6-10(16)18-11/h6-7,9H,4-5H2,1-3H3,(H2,16,18)(H,17,21)/t9-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-(6-amino-4-chloro-2-pyridinyl)-2-oxopyrrolidin-3-yl]carbamate?
tert-butyl N-[(3S)-1-(6-amino-4-chloro-2-pyridinyl)-2-oxopyrrolidin-3-yl]carbamate has a molecular weight of 326.78 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-(6-amino-4-chloro-2-pyridinyl)-2-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 158748267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).