methyl 6-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate

C12H23NO5 — CID 101089315

IUPACmethyl 6-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate
SMILESCOC(=O)CCCCCN(O)C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO5/c1-12(2,3)18-11(15)13(16)9-7-5-6-8-10(14)17-4/h16H,5-9H2,1-4H3
InChIKeyOKPIUKHHFIFSHB-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.35
Rot. Bonds6

About methyl 6-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate

methyl 6-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate (PubChem CID 101089315) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 6-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate
PubChem CID101089315
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Namemethyl 6-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate
SMILESCOC(=O)CCCCCN(O)C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO5/c1-12(2,3)18-11(15)13(16)9-7-5-6-8-10(14)17-4/h16H,5-9H2,1-4H3
InChIKeyOKPIUKHHFIFSHB-UHFFFAOYSA-N
XLogP2.35
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 6-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-{[(Tert-butoxy)carbonyl](methyl)amino}hexanoic acid
CID 127261591
propyl N-hydroxy-N-(7-oxooxepan-2-yl)carbamate
CID 18415093
6-[Formyl-[(2-methylpropan-2-yl)oxy]amino]hexanoic acid
CID 19996314
7-[Formyl-[(2-methylpropan-2-yl)oxy]amino]heptanoic acid
CID 19996329
N-BOC-N,N-Bis-(5-Methoxycarbonylpentyl)amine
CID 21932553
(2S)-2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid
CID 53671678
Methyl 6-[(tert-butoxycarbonyl)(methyl)amino]hexanoate
CID 86690546
Methyl 7-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-oxoheptanoate
CID 87472015
Methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate
CID 87765920
[1-[Formyl(hydroxy)amino]-2-methylpropan-2-yl] hexanoate
CID 87775607
Ethyl 6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate
CID 87871217
Methyl 6-[hydroxy-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-6-oxohexanoate
CID 132060085

Frequently Asked Questions

What is the IUPAC name of methyl 6-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate?
The IUPAC name of methyl 6-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate (CID 101089315) is methyl 6-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate.
What is the SMILES notation for methyl 6-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate?
The canonical SMILES for methyl 6-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate is COC(=O)CCCCCN(O)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 6-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate?
The InChIKey is OKPIUKHHFIFSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-12(2,3)18-11(15)13(16)9-7-5-6-8-10(14)17-4/h16H,5-9H2,1-4H3.
What are the key properties of methyl 6-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate?
methyl 6-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate has a molecular weight of 261.32 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate is sourced from PubChem (CID 101089315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).