tert-butyl N-[(2R)-3-(1H-imidazol-5-yl)-1-oxo-1-[[2-oxo-2-(2-propanoylhydrazinyl)ethyl]amino]propan-2-yl]carbamate

C16H26N6O5 — CID 131712290

IUPACtert-butyl N-[(2R)-3-(1H-imidazol-5-yl)-1-oxo-1-[[2-oxo-2-(2-propanoylhydrazinyl)ethyl]amino]propan-2-yl]carbamate
SMILESCCC(=O)NNC(=O)CNC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H26N6O5/c1-5-12(23)21-22-13(24)8-18-14(25)11(6-10-7-17-9-19-10)20-15(26)27-16(2,3)4/h7,9,11H,5-6,8H2,1-4H3,(H,17,19)(H,18,25)(H,20,26)(H,21,23)(H,22,24)/t11-/m1/s1
InChIKeyTVJAMQCJXDMLAW-LLVKDONJSA-N
MW382.42 g/mol
LogP-0.48
Rot. Bonds7

About tert-butyl N-[(2R)-3-(1H-imidazol-5-yl)-1-oxo-1-[[2-oxo-2-(2-propanoylhydrazinyl)ethyl]amino]propan-2-yl]carbamate

tert-butyl N-[(2R)-3-(1H-imidazol-5-yl)-1-oxo-1-[[2-oxo-2-(2-propanoylhydrazinyl)ethyl]amino]propan-2-yl]carbamate (PubChem CID 131712290) has the molecular formula C16H26N6O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3-(1H-imidazol-5-yl)-1-oxo-1-[[2-oxo-2-(2-propanoylhydrazinyl)ethyl]amino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3-(1H-imidazol-5-yl)-1-oxo-1-[[2-oxo-2-(2-propanoylhydrazinyl)ethyl]amino]propan-2-yl]carbamate
PubChem CID131712290
Molecular FormulaC16H26N6O5
Molecular Weight382.42 g/mol
Exact Mass382.20
IUPAC Nametert-butyl N-[(2R)-3-(1H-imidazol-5-yl)-1-oxo-1-[[2-oxo-2-(2-propanoylhydrazinyl)ethyl]amino]propan-2-yl]carbamate
SMILESCCC(=O)NNC(=O)CNC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H26N6O5/c1-5-12(23)21-22-13(24)8-18-14(25)11(6-10-7-17-9-19-10)20-15(26)27-16(2,3)4/h7,9,11H,5-6,8H2,1-4H3,(H,17,19)(H,18,25)(H,20,26)(H,21,23)(H,22,24)/t11-/m1/s1
InChIKeyTVJAMQCJXDMLAW-LLVKDONJSA-N
XLogP-0.48
TPSA154.31 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 5-0.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

tert-butyl N-[3-(1H-imidazol-5-yl)-1-oxo-1-[2-[2-(pyridine-3-carbonylamino)acetyl]hydrazinyl]propan-2-yl]carbamate
CID 6736058
tert-butyl N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate
CID 18645442
methyl 6-[2-[3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]hydrazinyl]-6-oxohexanoate
CID 6711121
tert-butyl N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]carbamate
CID 130852205
2-[[3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanylbutanoic acid
CID 78480744
tert-butyl N-[(2S)-3-(1H-imidazol-5-yl)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]carbamate
CID 156554407
tert-butyl (2R)-3-(1H-imidazol-5-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate
CID 101482073
methyl 3-(1H-imidazol-5-yl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 118896971
methyl (2S)-3-(1H-imidazol-5-yl)-2-[[(2R,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]propanoate
CID 94864160
methyl (2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoate
CID 91978535
2-[[3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(4-methoxyphenyl)propanoic acid
CID 21303285
2-[[(2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetic acid
CID 71403967

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-3-(1H-imidazol-5-yl)-1-oxo-1-[[2-oxo-2-(2-propanoylhydrazinyl)ethyl]amino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-3-(1H-imidazol-5-yl)-1-oxo-1-[[2-oxo-2-(2-propanoylhydrazinyl)ethyl]amino]propan-2-yl]carbamate (CID 131712290) is tert-butyl N-[(2R)-3-(1H-imidazol-5-yl)-1-oxo-1-[[2-oxo-2-(2-propanoylhydrazinyl)ethyl]amino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3-(1H-imidazol-5-yl)-1-oxo-1-[[2-oxo-2-(2-propanoylhydrazinyl)ethyl]amino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3-(1H-imidazol-5-yl)-1-oxo-1-[[2-oxo-2-(2-propanoylhydrazinyl)ethyl]amino]propan-2-yl]carbamate is CCC(=O)NNC(=O)CNC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-3-(1H-imidazol-5-yl)-1-oxo-1-[[2-oxo-2-(2-propanoylhydrazinyl)ethyl]amino]propan-2-yl]carbamate?
The InChIKey is TVJAMQCJXDMLAW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H26N6O5/c1-5-12(23)21-22-13(24)8-18-14(25)11(6-10-7-17-9-19-10)20-15(26)27-16(2,3)4/h7,9,11H,5-6,8H2,1-4H3,(H,17,19)(H,18,25)(H,20,26)(H,21,23)(H,22,24)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-3-(1H-imidazol-5-yl)-1-oxo-1-[[2-oxo-2-(2-propanoylhydrazinyl)ethyl]amino]propan-2-yl]carbamate?
tert-butyl N-[(2R)-3-(1H-imidazol-5-yl)-1-oxo-1-[[2-oxo-2-(2-propanoylhydrazinyl)ethyl]amino]propan-2-yl]carbamate has a molecular weight of 382.42 g/mol, XLogP of -0.48, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-3-(1H-imidazol-5-yl)-1-oxo-1-[[2-oxo-2-(2-propanoylhydrazinyl)ethyl]amino]propan-2-yl]carbamate is sourced from PubChem (CID 131712290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).