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

C11H19NO5 — CID 83488191

IUPACmethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentanoate
SMILESCOC(=O)C(=O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-7-5-6-8(13)9(14)16-4/h5-7H2,1-4H3,(H,12,15)
InChIKeyQBABSTPITCORKY-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.03
Rot. Bonds5

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

methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentanoate (PubChem CID 83488191) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentanoate
PubChem CID83488191
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Namemethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentanoate
SMILESCOC(=O)C(=O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-7-5-6-8(13)9(14)16-4/h5-7H2,1-4H3,(H,12,15)
InChIKeyQBABSTPITCORKY-UHFFFAOYSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxohexanoic acid
CID 91098300
tert-butyl N-[4-(ethylamino)-4-oxobutyl]carbamate
CID 11138962
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]acetate
CID 123437177
methyl 2-imino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopentanoate
CID 145406631
tert-butyl N-butylcarbamate;methane
CID 153346289
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11687095
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-(4-iminopentyl)carbamate
CID 159038278
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]butanoic acid
CID 171702826
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentanoate?
The IUPAC name of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentanoate (CID 83488191) is methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentanoate.
What is the SMILES notation for methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentanoate?
The canonical SMILES for methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentanoate is COC(=O)C(=O)CCCNC(=O)OC(C)(C)C.
What is the InChIKey of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentanoate?
The InChIKey is QBABSTPITCORKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-7-5-6-8(13)9(14)16-4/h5-7H2,1-4H3,(H,12,15).
What are the key properties of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentanoate?
methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-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 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentanoate is sourced from PubChem (CID 83488191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).