benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate

C22H30N4O6 — CID 10182130

IUPACbenzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)c1n[nH]c(=O)o1
InChIInChI=1S/C22H30N4O6/c1-13(2)10-16(18(27)20-25-26-22(30)32-20)23-19(28)17(11-14(3)4)24-21(29)31-12-15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3,(H,23,28)(H,24,29)(H,26,30)/t16-,17-/m0/s1
InChIKeyKWESIDOLXCOTCM-IRXDYDNUSA-N
MW446.50 g/mol
LogP2.42
Rot. Bonds11

About benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate

benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate (PubChem CID 10182130) has the molecular formula C22H30N4O6 and a molecular weight of 446.50 g/mol. Its IUPAC name is benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
PubChem CID10182130
Molecular FormulaC22H30N4O6
Molecular Weight446.50 g/mol
Exact Mass446.22
IUPAC Namebenzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)c1n[nH]c(=O)o1
InChIInChI=1S/C22H30N4O6/c1-13(2)10-16(18(27)20-25-26-22(30)32-20)23-19(28)17(11-14(3)4)24-21(29)31-12-15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3,(H,23,28)(H,24,29)(H,26,30)/t16-,17-/m0/s1
InChIKeyKWESIDOLXCOTCM-IRXDYDNUSA-N
XLogP2.42
TPSA143.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate with MolForge

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Related Compounds

benzyl N-[(2S)-1-[[(2S)-1-(4-ethyl-5-oxo-1,3,4-oxadiazol-2-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 10183941
benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-(5-oxo-4-pentyl-1,3,4-oxadiazol-2-yl)pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
CID 10142579
methyl (2S)-4-methyl-2-[[(2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate
CID 7237625
benzyl N-[(2S)-1-[[(2S)-1-[4-(2-methoxyethyl)-5-oxo-1,3,4-oxadiazol-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 58760360
benzyl N-[(2S)-1-[[(2S)-1-[[(3S)-1-hydroxy-5-methyl-2-oxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 67703494
(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid
CID 6992475
benzyl N-[(2S)-4-methyl-1-[[(2S)-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopentan-2-yl]carbamate
CID 58760371
4-methyl-2-[2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoylamino]pentanoic acid
CID 70145371
methyl 3-hydroxy-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate
CID 4100748
benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 14506335
benzyl N-[(2S)-1-[[(2S)-1-hydrazinyl-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 131713861
benzyl N-[(2R)-4-methyl-1-[[(2S)-4-methyl-1-[[(2R)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
CID 45104083

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate (CID 10182130) is benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)c1n[nH]c(=O)o1.
What is the InChIKey of benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate?
The InChIKey is KWESIDOLXCOTCM-IRXDYDNUSA-N. The full InChI is InChI=1S/C22H30N4O6/c1-13(2)10-16(18(27)20-25-26-22(30)32-20)23-19(28)17(11-14(3)4)24-21(29)31-12-15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3,(H,23,28)(H,24,29)(H,26,30)/t16-,17-/m0/s1.
What are the key properties of benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate?
benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate has a molecular weight of 446.50 g/mol, XLogP of 2.42, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 10182130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).