methyl (2S)-5-(ethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate

C13H24N2O5 — CID 141496287

IUPACmethyl (2S)-5-(ethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
SMILESCCNC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C13H24N2O5/c1-6-14-10(16)8-7-9(11(17)19-5)15-12(18)20-13(2,3)4/h9H,6-8H2,1-5H3,(H,14,16)(H,15,18)/t9-/m0/s1
InChIKeyVFESONLQBIPXLP-VIFPVBQESA-N
MW288.34 g/mol
LogP0.97
Rot. Bonds6

About methyl (2S)-5-(ethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate

methyl (2S)-5-(ethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate (PubChem CID 141496287) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is methyl (2S)-5-(ethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl (2S)-5-(ethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
PubChem CID141496287
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Namemethyl (2S)-5-(ethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
SMILESCCNC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C13H24N2O5/c1-6-14-10(16)8-7-9(11(17)19-5)15-12(18)20-13(2,3)4/h9H,6-8H2,1-5H3,(H,14,16)(H,15,18)/t9-/m0/s1
InChIKeyVFESONLQBIPXLP-VIFPVBQESA-N
XLogP0.97
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[(Tert-butoxy)carbonyl]amino}-4-carbamoylbutanoic acid
CID 433635
L-Glutamine, N2-((1,1-dimethylethoxy)carbonyl)-
CID 83687
Dimethyl N-(tert-Butoxycarbonyl)-L-glutamate
CID 2734644
(2S)-2-azaniumyl-5-{[(1S)-1-carboxylatoethyl]amino}-5-oxopentanoate
CID 7009568
dimethyl N-boc-(s)-alaninyl-(s)-glutamate
CID 44522618
(2S)-5-amino-2-(butoxycarbonylamino)-5-oxopentanoic acid
CID 44347597
(2R)-2-(((tert-butoxy)carbonyl)amino)-4-carbamoylbutanoic acid
CID 2724760
methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 11380628
(S)-tert-butyl 5-amino-2-((tert-butoxycarbonyl)amino)pentanoate hydrochloride
CID 56777057
gamma-Glu-Abu(1-)
CID 78437958
Ophthalmate
CID 7018720
Boc-Glu-Glu-Leu-Ome
CID 44359258

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-5-(ethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate?
The IUPAC name of methyl (2S)-5-(ethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate (CID 141496287) is methyl (2S)-5-(ethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate.
What is the SMILES notation for methyl (2S)-5-(ethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate?
The canonical SMILES for methyl (2S)-5-(ethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate is CCNC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC.
What is the InChIKey of methyl (2S)-5-(ethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate?
The InChIKey is VFESONLQBIPXLP-VIFPVBQESA-N. The full InChI is InChI=1S/C13H24N2O5/c1-6-14-10(16)8-7-9(11(17)19-5)15-12(18)20-13(2,3)4/h9H,6-8H2,1-5H3,(H,14,16)(H,15,18)/t9-/m0/s1.
What are the key properties of methyl (2S)-5-(ethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate?
methyl (2S)-5-(ethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate has a molecular weight of 288.34 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-5-(ethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate is sourced from PubChem (CID 141496287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).