tert-butyl (2R)-2-(3-hydroxypropyl)-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

C26H40N2O6 — CID 11005291

IUPACtert-butyl (2R)-2-(3-hydroxypropyl)-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)C[C@H](NC(=O)[C@]1(CCCO)CCCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C26H40N2O6/c1-19(2)17-21(22(30)33-18-20-11-7-6-8-12-20)27-23(31)26(14-10-16-29)13-9-15-28(26)24(32)34-25(3,4)5/h6-8,11-12,19,21,29H,9-10,13-18H2,1-5H3,(H,27,31)/t21-,26+/m0/s1
InChIKeyDOQZZFAHWRJOOC-HFZDXXHNSA-N
MW476.61 g/mol
LogP3.80
Rot. Bonds10

About tert-butyl (2R)-2-(3-hydroxypropyl)-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-(3-hydroxypropyl)-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 11005291) has the molecular formula C26H40N2O6 and a molecular weight of 476.61 g/mol. Its IUPAC name is tert-butyl (2R)-2-(3-hydroxypropyl)-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(3-hydroxypropyl)-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID11005291
Molecular FormulaC26H40N2O6
Molecular Weight476.61 g/mol
Exact Mass476.29
IUPAC Nametert-butyl (2R)-2-(3-hydroxypropyl)-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)C[C@H](NC(=O)[C@]1(CCCO)CCCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C26H40N2O6/c1-19(2)17-21(22(30)33-18-20-11-7-6-8-12-20)27-23(31)26(14-10-16-29)13-9-15-28(26)24(32)34-25(3,4)5/h6-8,11-12,19,21,29H,9-10,13-18H2,1-5H3,(H,27,31)/t21-,26+/m0/s1
InChIKeyDOQZZFAHWRJOOC-HFZDXXHNSA-N
XLogP3.80
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.61
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2R)-2-(3-hydroxypropyl)-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoyl]pyrrolidine-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

tert-butyl 2-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 123620552
(2S)-2-[2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]ethyl]-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 67916737
tert-butyl 2-(methylcarbamoyl)-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 123270754
tert-butyl 2-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 122596272
tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 90330029
tert-butyl 2-[(3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 139327786
1-O-tert-butyl 2-O-methyl 2-(3-phenoxypropyl)pyrrolidine-1,2-dicarboxylate
CID 113345952
benzyl (2S)-4-methyl-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoylamino]pentanoate
CID 14842513
benzyl (2S)-2-benzyl-2-[[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 158177775
benzyl 4-methyl-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pentanoate
CID 21327044
tert-butyl 4-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]carbamoyl]piperazine-1-carboxylate
CID 14723522
2-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 152697309

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(3-hydroxypropyl)-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(3-hydroxypropyl)-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate (CID 11005291) is tert-butyl (2R)-2-(3-hydroxypropyl)-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(3-hydroxypropyl)-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(3-hydroxypropyl)-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate is CC(C)C[C@H](NC(=O)[C@]1(CCCO)CCCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1.
What is the InChIKey of tert-butyl (2R)-2-(3-hydroxypropyl)-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is DOQZZFAHWRJOOC-HFZDXXHNSA-N. The full InChI is InChI=1S/C26H40N2O6/c1-19(2)17-21(22(30)33-18-20-11-7-6-8-12-20)27-23(31)26(14-10-16-29)13-9-15-28(26)24(32)34-25(3,4)5/h6-8,11-12,19,21,29H,9-10,13-18H2,1-5H3,(H,27,31)/t21-,26+/m0/s1.
What are the key properties of tert-butyl (2R)-2-(3-hydroxypropyl)-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-(3-hydroxypropyl)-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 476.61 g/mol, XLogP of 3.80, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(3-hydroxypropyl)-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 11005291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).