methyl N-[(5S)-11-aminooxy-1-(methoxycarbonylamino)-6-oxoundecan-5-yl]carbamate

C15H29N3O6 — CID 158264935

IUPACmethyl N-[(5S)-11-aminooxy-1-(methoxycarbonylamino)-6-oxoundecan-5-yl]carbamate
SMILESCOC(=O)NCCCC[C@H](NC(=O)OC)C(=O)CCCCCON
InChIInChI=1S/C15H29N3O6/c1-22-14(20)17-10-6-5-8-12(18-15(21)23-2)13(19)9-4-3-7-11-24-16/h12H,3-11,16H2,1-2H3,(H,17,20)(H,18,21)/t12-/m0/s1
InChIKeyGIHZWGHRKZOBAR-LBPRGKRZSA-N
MW347.41 g/mol
LogP1.26
Rot. Bonds13

About methyl N-[(5S)-11-aminooxy-1-(methoxycarbonylamino)-6-oxoundecan-5-yl]carbamate

methyl N-[(5S)-11-aminooxy-1-(methoxycarbonylamino)-6-oxoundecan-5-yl]carbamate (PubChem CID 158264935) has the molecular formula C15H29N3O6 and a molecular weight of 347.41 g/mol. Its IUPAC name is methyl N-[(5S)-11-aminooxy-1-(methoxycarbonylamino)-6-oxoundecan-5-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(5S)-11-aminooxy-1-(methoxycarbonylamino)-6-oxoundecan-5-yl]carbamate
PubChem CID158264935
Molecular FormulaC15H29N3O6
Molecular Weight347.41 g/mol
Exact Mass347.21
IUPAC Namemethyl N-[(5S)-11-aminooxy-1-(methoxycarbonylamino)-6-oxoundecan-5-yl]carbamate
SMILESCOC(=O)NCCCC[C@H](NC(=O)OC)C(=O)CCCCCON
InChIInChI=1S/C15H29N3O6/c1-22-14(20)17-10-6-5-8-12(18-15(21)23-2)13(19)9-4-3-7-11-24-16/h12H,3-11,16H2,1-2H3,(H,17,20)(H,18,21)/t12-/m0/s1
InChIKeyGIHZWGHRKZOBAR-LBPRGKRZSA-N
XLogP1.26
TPSA128.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

methyl N-[1-(4-methoxybutylamino)-6-(methoxycarbonylamino)-1-oxohexan-2-yl]carbamate
CID 89290011
methyl (2S)-2,6-bis(methoxycarbonylamino)hexanoate
CID 11219607
methyl N-(3-aminooxypropyl)carbamate
CID 59658343
ethyl N-[1-aminooxy-7-(ethoxycarbonylamino)-2-oxoheptan-3-yl]carbamate;iodomethane
CID 163834856
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
tert-butyl N-[1-[6-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]hexylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate
CID 123364045
(2S)-5-(ethoxycarbonylamino)-2-(methoxycarbonylamino)pentanoic acid
CID 54140960
methyl 2-chloro-6-(methoxycarbonylamino)hexanoate
CID 131859175
pentadecyl 2-(methoxycarbonylamino)octanoate
CID 91726033
methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
tert-butyl N-[(2S)-1-[[(2S)-1-[12-[[(2S)-2,6-bis[[(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]hexanoyl]amino]dodecylamino]-6-[[(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-1-oxohexan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate
CID 101370072
tert-butyl N-[(5S)-5-acetamido-9-(methylamino)-6-oxononyl]carbamate
CID 58480322

Frequently Asked Questions

What is the IUPAC name of methyl N-[(5S)-11-aminooxy-1-(methoxycarbonylamino)-6-oxoundecan-5-yl]carbamate?
The IUPAC name of methyl N-[(5S)-11-aminooxy-1-(methoxycarbonylamino)-6-oxoundecan-5-yl]carbamate (CID 158264935) is methyl N-[(5S)-11-aminooxy-1-(methoxycarbonylamino)-6-oxoundecan-5-yl]carbamate.
What is the SMILES notation for methyl N-[(5S)-11-aminooxy-1-(methoxycarbonylamino)-6-oxoundecan-5-yl]carbamate?
The canonical SMILES for methyl N-[(5S)-11-aminooxy-1-(methoxycarbonylamino)-6-oxoundecan-5-yl]carbamate is COC(=O)NCCCC[C@H](NC(=O)OC)C(=O)CCCCCON.
What is the InChIKey of methyl N-[(5S)-11-aminooxy-1-(methoxycarbonylamino)-6-oxoundecan-5-yl]carbamate?
The InChIKey is GIHZWGHRKZOBAR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H29N3O6/c1-22-14(20)17-10-6-5-8-12(18-15(21)23-2)13(19)9-4-3-7-11-24-16/h12H,3-11,16H2,1-2H3,(H,17,20)(H,18,21)/t12-/m0/s1.
What are the key properties of methyl N-[(5S)-11-aminooxy-1-(methoxycarbonylamino)-6-oxoundecan-5-yl]carbamate?
methyl N-[(5S)-11-aminooxy-1-(methoxycarbonylamino)-6-oxoundecan-5-yl]carbamate has a molecular weight of 347.41 g/mol, XLogP of 1.26, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(5S)-11-aminooxy-1-(methoxycarbonylamino)-6-oxoundecan-5-yl]carbamate is sourced from PubChem (CID 158264935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).