tert-butyl N-[(2S)-1-[[(2S)-1-(1H-imidazol-2-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

C20H34N4O4 — CID 10453249

IUPACtert-butyl N-[(2S)-1-[[(2S)-1-(1H-imidazol-2-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)c1ncc[nH]1
InChIInChI=1S/C20H34N4O4/c1-12(2)10-14(16(25)17-21-8-9-22-17)23-18(26)15(11-13(3)4)24-19(27)28-20(5,6)7/h8-9,12-15H,10-11H2,1-7H3,(H,21,22)(H,23,26)(H,24,27)/t14-,15-/m0/s1
InChIKeyNXTUTROSFXOAHD-GJZGRUSLSA-N
MW394.52 g/mol
LogP3.06
Rot. Bonds9

About tert-butyl N-[(2S)-1-[[(2S)-1-(1H-imidazol-2-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

tert-butyl N-[(2S)-1-[[(2S)-1-(1H-imidazol-2-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 10453249) has the molecular formula C20H34N4O4 and a molecular weight of 394.52 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[[(2S)-1-(1H-imidazol-2-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[[(2S)-1-(1H-imidazol-2-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID10453249
Molecular FormulaC20H34N4O4
Molecular Weight394.52 g/mol
Exact Mass394.26
IUPAC Nametert-butyl N-[(2S)-1-[[(2S)-1-(1H-imidazol-2-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)c1ncc[nH]1
InChIInChI=1S/C20H34N4O4/c1-12(2)10-14(16(25)17-21-8-9-22-17)23-18(26)15(11-13(3)4)24-19(27)28-20(5,6)7/h8-9,12-15H,10-11H2,1-7H3,(H,21,22)(H,23,26)(H,24,27)/t14-,15-/m0/s1
InChIKeyNXTUTROSFXOAHD-GJZGRUSLSA-N
XLogP3.06
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2S)-1-[[(2S)-1-(1H-imidazol-2-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate with MolForge

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Related Compounds

methyl {2-[3-(1H-imidazol-2-yl)-1-piperidinyl]-2-oxoethyl}carbamate
CID 70708569
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Methyl N-((1S)-1-{[(2S)-2-(1H-imidazol-2-YL)tetrahydro-1H-pyrrol-1-YL]carbonyl}-2-methylpropyl)carbamate
CID 89887614
tert-butyl N-[(2R)-1-imidazol-1-yl-4-methyl-1-oxopentan-2-yl]carbamate
CID 13574847
tert-butyl N-[(2S)-1-imidazol-1-yl-4-methyl-1-oxopentan-2-yl]carbamate
CID 13574846
tert-butyl N-[(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentyl]carbamate
CID 18453491
tert-butyl N-[cyclopropyl(1H-imidazol-2-yl)methyl]carbamate
CID 18934559
tert-butyl 4-(1H-imidazole-2-carbonyl)piperidine-1-carboxylate
CID 19377708
N-[1-(1H-imidazol-2-yl)-1-oxobutan-2-yl]octadecanamide
CID 21847242
1-[1-(1H-imidazol-2-yl)-1-oxobutan-2-yl]-3-octadecylurea
CID 21847277
tert-butyl N-[1-(1H-imidazol-2-yl)-2-methylpropyl]carbamate
CID 22915182
N-[(2S)-1-(1H-imidazol-2-yl)-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
CID 53662906

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[[(2S)-1-(1H-imidazol-2-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[[(2S)-1-(1H-imidazol-2-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (CID 10453249) is tert-butyl N-[(2S)-1-[[(2S)-1-(1H-imidazol-2-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[[(2S)-1-(1H-imidazol-2-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[[(2S)-1-(1H-imidazol-2-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)c1ncc[nH]1.
What is the InChIKey of tert-butyl N-[(2S)-1-[[(2S)-1-(1H-imidazol-2-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is NXTUTROSFXOAHD-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H34N4O4/c1-12(2)10-14(16(25)17-21-8-9-22-17)23-18(26)15(11-13(3)4)24-19(27)28-20(5,6)7/h8-9,12-15H,10-11H2,1-7H3,(H,21,22)(H,23,26)(H,24,27)/t14-,15-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[[(2S)-1-(1H-imidazol-2-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[[(2S)-1-(1H-imidazol-2-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 394.52 g/mol, XLogP of 3.06, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[[(2S)-1-(1H-imidazol-2-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 10453249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).