benzyl 2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-1-carboxylate

C19H28N2O5 — CID 91450223

IUPACbenzyl 2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NCC(O)C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H28N2O5/c1-19(2,3)26-17(23)20-12-16(22)15-10-7-11-21(15)18(24)25-13-14-8-5-4-6-9-14/h4-6,8-9,15-16,22H,7,10-13H2,1-3H3,(H,20,23)
InChIKeyNWYFBBHMANGCRC-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.67
Rot. Bonds5

About benzyl 2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-1-carboxylate

benzyl 2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-1-carboxylate (PubChem CID 91450223) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is benzyl 2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-1-carboxylate
PubChem CID91450223
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Namebenzyl 2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NCC(O)C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H28N2O5/c1-19(2,3)26-17(23)20-12-16(22)15-10-7-11-21(15)18(24)25-13-14-8-5-4-6-9-14/h4-6,8-9,15-16,22H,7,10-13H2,1-3H3,(H,20,23)
InChIKeyNWYFBBHMANGCRC-UHFFFAOYSA-N
XLogP2.67
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R)-1-phenylmethoxycarbonylpiperidin-2-yl]acetic acid
CID 93077883
benzyl (2R)-2-[(1S)-1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]ethyl]pyrrolidine-1-carboxylate
CID 58697625
benzyl 2-(1-hydroxybutyl)pyrrolidine-1-carboxylate
CID 56976616
2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-(1-phenylmethoxycarbonylpyrrolidin-2-yl)butanoic acid
CID 156633155
benzyl 2-(1,3-dihydroxypropyl)pyrrolidine-1-carboxylate
CID 68745520
benzyl 2-(2-amino-1-hydroxyethyl)azepane-1-carboxylate
CID 115006824
benzyl (2S)-2-[(2S)-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 50899991
benzyl (2S)-2-(1-bromoethyl)pyrrolidine-1-carboxylate
CID 67770305
benzyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]piperidine-1-carboxylate
CID 68754722
benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 13118734
benzyl (2R)-2-[(1R)-1-hydroxypent-4-enyl]pyrrolidine-1-carboxylate
CID 54578974
1-O-benzyl 2-O-tert-butyl piperidine-1,2-dicarboxylate
CID 3340153

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-1-carboxylate (CID 91450223) is benzyl 2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)NCC(O)C1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-1-carboxylate?
The InChIKey is NWYFBBHMANGCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-19(2,3)26-17(23)20-12-16(22)15-10-7-11-21(15)18(24)25-13-14-8-5-4-6-9-14/h4-6,8-9,15-16,22H,7,10-13H2,1-3H3,(H,20,23).
What are the key properties of benzyl 2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-1-carboxylate?
benzyl 2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-1-carboxylate has a molecular weight of 364.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 91450223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).