6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamic acid

C12H24N2O4 — CID 141446573

IUPAC6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamic acid
SMILESCC(CCCCNC(=O)OC(C)(C)C)NC(=O)O
InChIInChI=1S/C12H24N2O4/c1-9(14-10(15)16)7-5-6-8-13-11(17)18-12(2,3)4/h9,14H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyRIWVGXHAMKUYFO-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.34
Rot. Bonds6

About 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamic acid

6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamic acid (PubChem CID 141446573) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamic acid.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamic acid
PubChem CID141446573
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamic acid
SMILESCC(CCCCNC(=O)OC(C)(C)C)NC(=O)O
InChIInChI=1S/C12H24N2O4/c1-9(14-10(15)16)7-5-6-8-13-11(17)18-12(2,3)4/h9,14H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyRIWVGXHAMKUYFO-UHFFFAOYSA-N
XLogP2.34
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(5-hydroxyhexyl)carbamate
CID 130586251
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
tert-butyl N-[(5R)-5-aminohexyl]carbamate
CID 59986272
tert-butyl N-[2-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptan-3-yl]carbamate
CID 139570514
[6-(carboxyamino)-1-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid
CID 135204157
tert-butyl N-(6-hydroxy-5-methylhexyl)carbamate
CID 10868138
(2S)-2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 10586563
(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 141497187
(3S)-3-amino-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 53486162
(2S)-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 167971322
tert-butyl N-[6-hydroxy-5-(hydroxymethyl)hexyl]carbamate
CID 142613690
(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 71518773

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamic acid?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamic acid (CID 141446573) is 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamic acid.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamic acid?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamic acid is CC(CCCCNC(=O)OC(C)(C)C)NC(=O)O.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamic acid?
The InChIKey is RIWVGXHAMKUYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-9(14-10(15)16)7-5-6-8-13-11(17)18-12(2,3)4/h9,14H,5-8H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamic acid?
6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamic acid has a molecular weight of 260.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamic acid is sourced from PubChem (CID 141446573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).