tert-butyl (2S)-2-amino-5-[[(1R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-1-(2H-tetrazol-5-yl)butyl]amino]-5-oxopentanoate

C18H32N6O5 — CID 10693015

IUPACtert-butyl (2S)-2-amino-5-[[(1R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-1-(2H-tetrazol-5-yl)butyl]amino]-5-oxopentanoate
SMILESCC(C)(C)OC(=O)CC[C@@H](NC(=O)CC[C@H](N)C(=O)OC(C)(C)C)c1nn[nH]n1
InChIInChI=1S/C18H32N6O5/c1-17(2,3)28-14(26)10-8-12(15-21-23-24-22-15)20-13(25)9-7-11(19)16(27)29-18(4,5)6/h11-12H,7-10,19H2,1-6H3,(H,20,25)(H,21,22,23,24)/t11-,12+/m0/s1
InChIKeyYREYVRBSXCHRKM-NWDGAFQWSA-N
MW412.49 g/mol
LogP0.93
Rot. Bonds9

About tert-butyl (2S)-2-amino-5-[[(1R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-1-(2H-tetrazol-5-yl)butyl]amino]-5-oxopentanoate

tert-butyl (2S)-2-amino-5-[[(1R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-1-(2H-tetrazol-5-yl)butyl]amino]-5-oxopentanoate (PubChem CID 10693015) has the molecular formula C18H32N6O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is tert-butyl (2S)-2-amino-5-[[(1R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-1-(2H-tetrazol-5-yl)butyl]amino]-5-oxopentanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-amino-5-[[(1R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-1-(2H-tetrazol-5-yl)butyl]amino]-5-oxopentanoate
PubChem CID10693015
Molecular FormulaC18H32N6O5
Molecular Weight412.49 g/mol
Exact Mass412.24
IUPAC Nametert-butyl (2S)-2-amino-5-[[(1R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-1-(2H-tetrazol-5-yl)butyl]amino]-5-oxopentanoate
SMILESCC(C)(C)OC(=O)CC[C@@H](NC(=O)CC[C@H](N)C(=O)OC(C)(C)C)c1nn[nH]n1
InChIInChI=1S/C18H32N6O5/c1-17(2,3)28-14(26)10-8-12(15-21-23-24-22-15)20-13(25)9-7-11(19)16(27)29-18(4,5)6/h11-12H,7-10,19H2,1-6H3,(H,20,25)(H,21,22,23,24)/t11-,12+/m0/s1
InChIKeyYREYVRBSXCHRKM-NWDGAFQWSA-N
XLogP0.93
TPSA162.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze tert-butyl (2S)-2-amino-5-[[(1R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-1-(2H-tetrazol-5-yl)butyl]amino]-5-oxopentanoate with MolForge

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Related Compounds

tert-butyl (2S)-2-amino-5-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-5-oxopentanoate
CID 10066982
ditert-butyl (2S)-2-aminoheptanedioate
CID 129411968
tert-butyl (3R)-4-methyl-3-(2H-tetrazol-5-yl)pentanoate
CID 142311236
tert-butyl 2-amino-5-oxo-5-(sulfanylamino)pentanoate
CID 91125306
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CID 135255285
5-amino-N-[1-(2H-tetrazol-5-yl)ethyl]hexanamide
CID 82851846
(2R)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 7016383
2-[(2-methylpropan-2-yl)oxy]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 112603262
tert-butyl (4R)-4-aminopentanoate
CID 58781983
tert-butyl (2S)-2-amino-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-5-oxopentanoate
CID 164518140
4-(methylamino)-N-[1-(2H-tetrazol-5-yl)butyl]butanamide;hydrochloride
CID 119813138
tert-butyl 2-amino-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-5-oxopentanoate
CID 59784079

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-amino-5-[[(1R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-1-(2H-tetrazol-5-yl)butyl]amino]-5-oxopentanoate?
The IUPAC name of tert-butyl (2S)-2-amino-5-[[(1R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-1-(2H-tetrazol-5-yl)butyl]amino]-5-oxopentanoate (CID 10693015) is tert-butyl (2S)-2-amino-5-[[(1R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-1-(2H-tetrazol-5-yl)butyl]amino]-5-oxopentanoate.
What is the SMILES notation for tert-butyl (2S)-2-amino-5-[[(1R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-1-(2H-tetrazol-5-yl)butyl]amino]-5-oxopentanoate?
The canonical SMILES for tert-butyl (2S)-2-amino-5-[[(1R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-1-(2H-tetrazol-5-yl)butyl]amino]-5-oxopentanoate is CC(C)(C)OC(=O)CC[C@@H](NC(=O)CC[C@H](N)C(=O)OC(C)(C)C)c1nn[nH]n1.
What is the InChIKey of tert-butyl (2S)-2-amino-5-[[(1R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-1-(2H-tetrazol-5-yl)butyl]amino]-5-oxopentanoate?
The InChIKey is YREYVRBSXCHRKM-NWDGAFQWSA-N. The full InChI is InChI=1S/C18H32N6O5/c1-17(2,3)28-14(26)10-8-12(15-21-23-24-22-15)20-13(25)9-7-11(19)16(27)29-18(4,5)6/h11-12H,7-10,19H2,1-6H3,(H,20,25)(H,21,22,23,24)/t11-,12+/m0/s1.
What are the key properties of tert-butyl (2S)-2-amino-5-[[(1R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-1-(2H-tetrazol-5-yl)butyl]amino]-5-oxopentanoate?
tert-butyl (2S)-2-amino-5-[[(1R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-1-(2H-tetrazol-5-yl)butyl]amino]-5-oxopentanoate has a molecular weight of 412.49 g/mol, XLogP of 0.93, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-amino-5-[[(1R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-1-(2H-tetrazol-5-yl)butyl]amino]-5-oxopentanoate is sourced from PubChem (CID 10693015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).