tert-butyl N-[4-[[2-hydroxy-2-(1H-imidazol-5-yl)ethyl]amino]-2-methyl-4-oxobutan-2-yl]carbamate

C15H26N4O4 — CID 136559509

IUPACtert-butyl N-[4-[[2-hydroxy-2-(1H-imidazol-5-yl)ethyl]amino]-2-methyl-4-oxobutan-2-yl]carbamate
SMILESCC(C)(CC(=O)NCC(O)c1cnc[nH]1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N4O4/c1-14(2,3)23-13(22)19-15(4,5)6-12(21)17-8-11(20)10-7-16-9-18-10/h7,9,11,20H,6,8H2,1-5H3,(H,16,18)(H,17,21)(H,19,22)
InChIKeySYUAZZCFCPMAJW-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.25
Rot. Bonds6

About tert-butyl N-[4-[[2-hydroxy-2-(1H-imidazol-5-yl)ethyl]amino]-2-methyl-4-oxobutan-2-yl]carbamate

tert-butyl N-[4-[[2-hydroxy-2-(1H-imidazol-5-yl)ethyl]amino]-2-methyl-4-oxobutan-2-yl]carbamate (PubChem CID 136559509) has the molecular formula C15H26N4O4 and a molecular weight of 326.40 g/mol. Its IUPAC name is tert-butyl N-[4-[[2-hydroxy-2-(1H-imidazol-5-yl)ethyl]amino]-2-methyl-4-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[2-hydroxy-2-(1H-imidazol-5-yl)ethyl]amino]-2-methyl-4-oxobutan-2-yl]carbamate
PubChem CID136559509
Molecular FormulaC15H26N4O4
Molecular Weight326.40 g/mol
Exact Mass326.20
IUPAC Nametert-butyl N-[4-[[2-hydroxy-2-(1H-imidazol-5-yl)ethyl]amino]-2-methyl-4-oxobutan-2-yl]carbamate
SMILESCC(C)(CC(=O)NCC(O)c1cnc[nH]1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N4O4/c1-14(2,3)23-13(22)19-15(4,5)6-12(21)17-8-11(20)10-7-16-9-18-10/h7,9,11,20H,6,8H2,1-5H3,(H,16,18)(H,17,21)(H,19,22)
InChIKeySYUAZZCFCPMAJW-UHFFFAOYSA-N
XLogP1.25
TPSA116.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-[[2-hydroxy-2-(1H-imidazol-5-yl)ethyl]amino]-2-methyl-4-oxobutan-2-yl]carbamate with MolForge

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Related Compounds

methyl 2-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 149222122
tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate
CID 129375181
methyl 3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoate
CID 15384249
tert-butyl N-[3-[2-(1H-imidazol-5-yl)ethylamino]-3-oxopropyl]carbamate
CID 10588966
tert-butyl N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]carbamate
CID 130852205
tert-butyl N-[2-[4-(1H-imidazol-5-yl)anilino]propyl]carbamate
CID 103388551
tert-butyl N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate
CID 18645442
tert-butyl (2R)-3-(1H-imidazol-5-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate
CID 101482073
tert-butyl N-[2-methyl-4-[3-(2-methylimidazol-1-yl)propylamino]-4-oxobutan-2-yl]carbamate
CID 56794243
1-(1H-imidazol-5-yl)ethane-1,2-diol
CID 54365092
tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate
CID 99909250
tert-butyl N-[1-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpropan-2-yl]carbamate
CID 169195889

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[2-hydroxy-2-(1H-imidazol-5-yl)ethyl]amino]-2-methyl-4-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[[2-hydroxy-2-(1H-imidazol-5-yl)ethyl]amino]-2-methyl-4-oxobutan-2-yl]carbamate (CID 136559509) is tert-butyl N-[4-[[2-hydroxy-2-(1H-imidazol-5-yl)ethyl]amino]-2-methyl-4-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[2-hydroxy-2-(1H-imidazol-5-yl)ethyl]amino]-2-methyl-4-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[2-hydroxy-2-(1H-imidazol-5-yl)ethyl]amino]-2-methyl-4-oxobutan-2-yl]carbamate is CC(C)(CC(=O)NCC(O)c1cnc[nH]1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[[2-hydroxy-2-(1H-imidazol-5-yl)ethyl]amino]-2-methyl-4-oxobutan-2-yl]carbamate?
The InChIKey is SYUAZZCFCPMAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4/c1-14(2,3)23-13(22)19-15(4,5)6-12(21)17-8-11(20)10-7-16-9-18-10/h7,9,11,20H,6,8H2,1-5H3,(H,16,18)(H,17,21)(H,19,22).
What are the key properties of tert-butyl N-[4-[[2-hydroxy-2-(1H-imidazol-5-yl)ethyl]amino]-2-methyl-4-oxobutan-2-yl]carbamate?
tert-butyl N-[4-[[2-hydroxy-2-(1H-imidazol-5-yl)ethyl]amino]-2-methyl-4-oxobutan-2-yl]carbamate has a molecular weight of 326.40 g/mol, XLogP of 1.25, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[2-hydroxy-2-(1H-imidazol-5-yl)ethyl]amino]-2-methyl-4-oxobutan-2-yl]carbamate is sourced from PubChem (CID 136559509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).