methyl 2-[1-(hydroxyamino)ethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

C14H28N2O5 — CID 153452651

IUPACmethyl 2-[1-(hydroxyamino)ethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
SMILESCOC(=O)C(CCCCNC(=O)OC(C)(C)C)C(C)NO
InChIInChI=1S/C14H28N2O5/c1-10(16-19)11(12(17)20-5)8-6-7-9-15-13(18)21-14(2,3)4/h10-11,16,19H,6-9H2,1-5H3,(H,15,18)
InChIKeySPBGMHVIVUVYPA-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.84
Rot. Bonds8

About methyl 2-[1-(hydroxyamino)ethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

methyl 2-[1-(hydroxyamino)ethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate (PubChem CID 153452651) has the molecular formula C14H28N2O5 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 2-[1-(hydroxyamino)ethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[1-(hydroxyamino)ethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
PubChem CID153452651
Molecular FormulaC14H28N2O5
Molecular Weight304.39 g/mol
Exact Mass304.20
IUPAC Namemethyl 2-[1-(hydroxyamino)ethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
SMILESCOC(=O)C(CCCCNC(=O)OC(C)(C)C)C(C)NO
InChIInChI=1S/C14H28N2O5/c1-10(16-19)11(12(17)20-5)8-6-7-9-15-13(18)21-14(2,3)4/h10-11,16,19H,6-9H2,1-5H3,(H,15,18)
InChIKeySPBGMHVIVUVYPA-UHFFFAOYSA-N
XLogP1.84
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(5R)-5-aminohexyl]carbamate
CID 59986272
methyl (2S)-2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 155642918
tert-butyl N-(5-hydroxyhexyl)carbamate
CID 130586251
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
methyl (2S)-2-(methylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 122173697
tert-butyl N-[2-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptan-3-yl]carbamate
CID 139570514
[3-methyl-12-[(2-methylpropan-2-yl)oxycarbonylamino]dodecan-2-yl] acetate
CID 91168181
tert-butyl N-(6-hydroxy-5-methylhexyl)carbamate
CID 10868138
tert-butyl N-[(5R)-5-amino-5-fluoropentyl]carbamate
CID 90126597
tert-butyl N-[(5S)-5,6-diaminohexyl]carbamate
CID 10704705
6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamic acid
CID 141446573
tert-butyl N-[(5S)-5-amino-6,6-dihydroxyhexyl]carbamate
CID 165157652

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(hydroxyamino)ethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate?
The IUPAC name of methyl 2-[1-(hydroxyamino)ethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate (CID 153452651) is methyl 2-[1-(hydroxyamino)ethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate.
What is the SMILES notation for methyl 2-[1-(hydroxyamino)ethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate?
The canonical SMILES for methyl 2-[1-(hydroxyamino)ethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate is COC(=O)C(CCCCNC(=O)OC(C)(C)C)C(C)NO.
What is the InChIKey of methyl 2-[1-(hydroxyamino)ethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate?
The InChIKey is SPBGMHVIVUVYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O5/c1-10(16-19)11(12(17)20-5)8-6-7-9-15-13(18)21-14(2,3)4/h10-11,16,19H,6-9H2,1-5H3,(H,15,18).
What are the key properties of methyl 2-[1-(hydroxyamino)ethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate?
methyl 2-[1-(hydroxyamino)ethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate has a molecular weight of 304.39 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(hydroxyamino)ethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate is sourced from PubChem (CID 153452651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).