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

C11H19NO5 — CID 15813614

IUPACmethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
SMILESCOC(=O)[C@H](CCC=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-8(6-5-7-13)9(14)16-4/h7-8H,5-6H2,1-4H3,(H,12,15)/t8-/m0/s1
InChIKeyNYHRPAGNOWCCDT-QMMMGPOBSA-N
MW245.27 g/mol
LogP1.03
Rot. Bonds5

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

methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate (PubChem CID 15813614) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
PubChem CID15813614
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Namemethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
SMILESCOC(=O)[C@H](CCC=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-8(6-5-7-13)9(14)16-4/h7-8H,5-6H2,1-4H3,(H,12,15)/t8-/m0/s1
InChIKeyNYHRPAGNOWCCDT-QMMMGPOBSA-N
XLogP1.03
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate?
The IUPAC name of methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate (CID 15813614) is methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate.
What is the SMILES notation for methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate?
The canonical SMILES for methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate is COC(=O)[C@H](CCC=O)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate?
The InChIKey is NYHRPAGNOWCCDT-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-8(6-5-7-13)9(14)16-4/h7-8H,5-6H2,1-4H3,(H,12,15)/t8-/m0/s1.
What are the key properties of methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate?
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate has a molecular weight of 245.27 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate is sourced from PubChem (CID 15813614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).