tert-butyl 3-[(2S)-3-methoxy-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-3-oxopropyl]pyrazole-1-carboxylate

C25H35N3O6 — CID 58633112

IUPACtert-butyl 3-[(2S)-3-methoxy-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-3-oxopropyl]pyrazole-1-carboxylate
SMILESCOC(=O)[C@H](Cc1ccn(C(=O)OC(C)(C)C)n1)N[C@@H](CC(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C25H35N3O6/c1-17(2)14-20(23(30)33-16-18-10-8-7-9-11-18)26-21(22(29)32-6)15-19-12-13-28(27-19)24(31)34-25(3,4)5/h7-13,17,20-21,26H,14-16H2,1-6H3/t20-,21-/m0/s1
InChIKeyLSYIJMWAMNXRGM-SFTDATJTSA-N
MW473.57 g/mol
LogP3.50
Rot. Bonds10

About tert-butyl 3-[(2S)-3-methoxy-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-3-oxopropyl]pyrazole-1-carboxylate

tert-butyl 3-[(2S)-3-methoxy-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-3-oxopropyl]pyrazole-1-carboxylate (PubChem CID 58633112) has the molecular formula C25H35N3O6 and a molecular weight of 473.57 g/mol. Its IUPAC name is tert-butyl 3-[(2S)-3-methoxy-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-3-oxopropyl]pyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(2S)-3-methoxy-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-3-oxopropyl]pyrazole-1-carboxylate
PubChem CID58633112
Molecular FormulaC25H35N3O6
Molecular Weight473.57 g/mol
Exact Mass473.25
IUPAC Nametert-butyl 3-[(2S)-3-methoxy-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-3-oxopropyl]pyrazole-1-carboxylate
SMILESCOC(=O)[C@H](Cc1ccn(C(=O)OC(C)(C)C)n1)N[C@@H](CC(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C25H35N3O6/c1-17(2)14-20(23(30)33-16-18-10-8-7-9-11-18)26-21(22(29)32-6)15-19-12-13-28(27-19)24(31)34-25(3,4)5/h7-13,17,20-21,26H,14-16H2,1-6H3/t20-,21-/m0/s1
InChIKeyLSYIJMWAMNXRGM-SFTDATJTSA-N
XLogP3.50
TPSA108.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tert-butyl 3-[(2S)-3-methoxy-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-3-oxopropyl]pyrazole-1-carboxylate 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

(2S)-2-(benzyloxycarbonylamino)-3-(1-benzylpyrazol-3-yl)propanoic acid
CID 16219190
benzyl (2S,3S)-3-hydroxy-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate
CID 125143730
(2R,3R)-N-[1-(2,4-difluorophenyl)ethyl]-2-(2-propan-2-ylpyrazol-3-yl)oxane-3-carboxamide
CID 126800314
Ethyl 4-[(4-fluorophenyl)methyl]-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyrazole-3-carboxylate
CID 69773662
Ethyl 4-[(4-fluorophenyl)methyl]-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]pyrazole-3-carboxylate
CID 69773663
Ethyl 3-(3-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-5-carboxylate
CID 118061645
Tert-butyl 2-[4-(5-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoate
CID 137447743
ethyl 3-(4-fluorophenyl)-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrazole-5-carboxylate
CID 166068453
Ethyl 3-(4-fluorophenyl)-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrazole-5-carboxylate
CID 175329776
(1-methylpyrazol-3-yl)methyl (2S)-2-[[2-[(2S)-1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]-3-methylbutanoate
CID 176337704
Ethyl 3-[(3,5-difluorophenyl)methyl]-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-3-yl]pyrazole-5-carboxylate
CID 177313146
Ethyl 3-[(3,5-difluorophenyl)methyl]-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]pyrazole-5-carboxylate
CID 177313161

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2S)-3-methoxy-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-3-oxopropyl]pyrazole-1-carboxylate?
The IUPAC name of tert-butyl 3-[(2S)-3-methoxy-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-3-oxopropyl]pyrazole-1-carboxylate (CID 58633112) is tert-butyl 3-[(2S)-3-methoxy-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-3-oxopropyl]pyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(2S)-3-methoxy-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-3-oxopropyl]pyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(2S)-3-methoxy-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-3-oxopropyl]pyrazole-1-carboxylate is COC(=O)[C@H](Cc1ccn(C(=O)OC(C)(C)C)n1)N[C@@H](CC(C)C)C(=O)OCc1ccccc1.
What is the InChIKey of tert-butyl 3-[(2S)-3-methoxy-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-3-oxopropyl]pyrazole-1-carboxylate?
The InChIKey is LSYIJMWAMNXRGM-SFTDATJTSA-N. The full InChI is InChI=1S/C25H35N3O6/c1-17(2)14-20(23(30)33-16-18-10-8-7-9-11-18)26-21(22(29)32-6)15-19-12-13-28(27-19)24(31)34-25(3,4)5/h7-13,17,20-21,26H,14-16H2,1-6H3/t20-,21-/m0/s1.
What are the key properties of tert-butyl 3-[(2S)-3-methoxy-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-3-oxopropyl]pyrazole-1-carboxylate?
tert-butyl 3-[(2S)-3-methoxy-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-3-oxopropyl]pyrazole-1-carboxylate has a molecular weight of 473.57 g/mol, XLogP of 3.50, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2S)-3-methoxy-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-3-oxopropyl]pyrazole-1-carboxylate is sourced from PubChem (CID 58633112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).