tert-butyl N-(1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl)carbamate;hydrochloride

C17H26ClN3O4 — CID 141300138

IUPACtert-butyl N-(1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl)carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC(C(=O)N1CCCC1)C(O)c1ccncc1.Cl
InChIInChI=1S/C17H25N3O4.ClH/c1-17(2,3)24-16(23)19-13(15(22)20-10-4-5-11-20)14(21)12-6-8-18-9-7-12;/h6-9,13-14,21H,4-5,10-11H2,1-3H3,(H,19,23);1H
InChIKeyKWBOHUDOOTUPJH-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.05
Rot. Bonds4

About tert-butyl N-(1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl)carbamate;hydrochloride

tert-butyl N-(1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl)carbamate;hydrochloride (PubChem CID 141300138) has the molecular formula C17H26ClN3O4 and a molecular weight of 371.87 g/mol. Its IUPAC name is tert-butyl N-(1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl)carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-(1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl)carbamate;hydrochloride
PubChem CID141300138
Molecular FormulaC17H26ClN3O4
Molecular Weight371.87 g/mol
Exact Mass371.16
IUPAC Nametert-butyl N-(1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl)carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC(C(=O)N1CCCC1)C(O)c1ccncc1.Cl
InChIInChI=1S/C17H25N3O4.ClH/c1-17(2,3)24-16(23)19-13(15(22)20-10-4-5-11-20)14(21)12-6-8-18-9-7-12;/h6-9,13-14,21H,4-5,10-11H2,1-3H3,(H,19,23);1H
InChIKeyKWBOHUDOOTUPJH-UHFFFAOYSA-N
XLogP2.05
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-(1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl)carbamate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[6-[[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]amino]-6-oxohexyl]carbamate;methane
CID 160672089
(2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoic acid
CID 59864496
(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoic acid
CID 59864494
N-(1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl)-4-methoxybenzamide
CID 68955974
ethyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate
CID 126836049
N-[(2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 70894299
ethyl (2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate
CID 125449408
ethyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate
CID 125449410
tert-butyl N-[1-(azocan-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 142133698
N-[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]decanamide;methane
CID 159961798
(2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;[(1S,2R)-2-amino-1-(4-fluorophenyl)-3-oxo-3-pyrrolidin-1-ylpropyl] acetate;tert-butyl N-[(1S,2R)-1-(4-fluorophenyl)-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropan-2-yl]carbamate;[(1S,2R)-1-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-pyrrolidin-1-ylpropyl] acetate;methane;sulfane;dihydrochloride
CID 160518144
2-(benzylamino)-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;dihydrochloride
CID 68956648

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl)carbamate;hydrochloride?
The IUPAC name of tert-butyl N-(1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl)carbamate;hydrochloride (CID 141300138) is tert-butyl N-(1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl)carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-(1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl)carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-(1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl)carbamate;hydrochloride is CC(C)(C)OC(=O)NC(C(=O)N1CCCC1)C(O)c1ccncc1.Cl.
What is the InChIKey of tert-butyl N-(1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl)carbamate;hydrochloride?
The InChIKey is KWBOHUDOOTUPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4.ClH/c1-17(2,3)24-16(23)19-13(15(22)20-10-4-5-11-20)14(21)12-6-8-18-9-7-12;/h6-9,13-14,21H,4-5,10-11H2,1-3H3,(H,19,23);1H.
What are the key properties of tert-butyl N-(1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl)carbamate;hydrochloride?
tert-butyl N-(1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl)carbamate;hydrochloride has a molecular weight of 371.87 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl)carbamate;hydrochloride is sourced from PubChem (CID 141300138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).