tert-butyl N-[1-[[2-(2,5-dihydroxypyrrol-1-yl)acetyl]amino]propan-2-yl]-N-methylcarbamate

C15H25N3O5 — CID 91012491

IUPACtert-butyl N-[1-[[2-(2,5-dihydroxypyrrol-1-yl)acetyl]amino]propan-2-yl]-N-methylcarbamate
SMILESCC(CNC(=O)Cn1c(O)ccc1O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O5/c1-10(17(5)14(22)23-15(2,3)4)8-16-11(19)9-18-12(20)6-7-13(18)21/h6-7,10,20-21H,8-9H2,1-5H3,(H,16,19)
InChIKeyWMFJBZOWGMZHNR-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.27
Rot. Bonds5

About tert-butyl N-[1-[[2-(2,5-dihydroxypyrrol-1-yl)acetyl]amino]propan-2-yl]-N-methylcarbamate

tert-butyl N-[1-[[2-(2,5-dihydroxypyrrol-1-yl)acetyl]amino]propan-2-yl]-N-methylcarbamate (PubChem CID 91012491) has the molecular formula C15H25N3O5 and a molecular weight of 327.38 g/mol. Its IUPAC name is tert-butyl N-[1-[[2-(2,5-dihydroxypyrrol-1-yl)acetyl]amino]propan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[2-(2,5-dihydroxypyrrol-1-yl)acetyl]amino]propan-2-yl]-N-methylcarbamate
PubChem CID91012491
Molecular FormulaC15H25N3O5
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC Nametert-butyl N-[1-[[2-(2,5-dihydroxypyrrol-1-yl)acetyl]amino]propan-2-yl]-N-methylcarbamate
SMILESCC(CNC(=O)Cn1c(O)ccc1O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O5/c1-10(17(5)14(22)23-15(2,3)4)8-16-11(19)9-18-12(20)6-7-13(18)21/h6-7,10,20-21H,8-9H2,1-5H3,(H,16,19)
InChIKeyWMFJBZOWGMZHNR-UHFFFAOYSA-N
XLogP1.27
TPSA104.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-[[2-(2,5-dihydroxypyrrol-1-yl)acetyl]amino]propan-2-yl]-N-methylcarbamate with MolForge

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Related Compounds

(4-tert-butylperoxy-4-methylpentan-2-yl) N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]carbamate
CID 53655851
[3-(2,5-Dihydroxypyrrol-1-yl)-2-oxoazetidin-1-yl] acetate
CID 53672248
(2,5-dihydroxypyrrol-1-yl) 2-[[(2S)-4-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pentanoyl]amino]acetate
CID 53690615
N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]prop-2-enamide
CID 53737679
2-Amino-1-(2,5-dihydroxypyrrol-1-yl)ethanone
CID 53766548
1-O-(2,5-dihydroxypyrrol-1-yl) 4-O-methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 53793902
(2,5-dihydroxypyrrol-1-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 53795865
(2S)-4-(2,5-dihydroxypyrrol-1-yl)-N-(3-oxo-1-sulfanylbutan-2-yl)-2-sulfanylbutanamide
CID 53841332
2-(2,5-Dihydroxypyrrol-1-yl)acetamide
CID 53860573
(2,5-Dihydroxypyrrol-1-yl) 2-acetamidoacetate
CID 53922588
(2,5-Dihydroxypyrrol-1-yl) 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetyl]amino]acetate
CID 53925778
2-(2,5-Dihydroxypyrrol-1-yl)hexanamide
CID 53928477

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[2-(2,5-dihydroxypyrrol-1-yl)acetyl]amino]propan-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-[[2-(2,5-dihydroxypyrrol-1-yl)acetyl]amino]propan-2-yl]-N-methylcarbamate (CID 91012491) is tert-butyl N-[1-[[2-(2,5-dihydroxypyrrol-1-yl)acetyl]amino]propan-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-[[2-(2,5-dihydroxypyrrol-1-yl)acetyl]amino]propan-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-[[2-(2,5-dihydroxypyrrol-1-yl)acetyl]amino]propan-2-yl]-N-methylcarbamate is CC(CNC(=O)Cn1c(O)ccc1O)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[[2-(2,5-dihydroxypyrrol-1-yl)acetyl]amino]propan-2-yl]-N-methylcarbamate?
The InChIKey is WMFJBZOWGMZHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O5/c1-10(17(5)14(22)23-15(2,3)4)8-16-11(19)9-18-12(20)6-7-13(18)21/h6-7,10,20-21H,8-9H2,1-5H3,(H,16,19).
What are the key properties of tert-butyl N-[1-[[2-(2,5-dihydroxypyrrol-1-yl)acetyl]amino]propan-2-yl]-N-methylcarbamate?
tert-butyl N-[1-[[2-(2,5-dihydroxypyrrol-1-yl)acetyl]amino]propan-2-yl]-N-methylcarbamate has a molecular weight of 327.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[2-(2,5-dihydroxypyrrol-1-yl)acetyl]amino]propan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 91012491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).