6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxolan-3-yl)hexanoic acid

C15H27NO5 — CID 165486598

IUPAC6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxolan-3-yl)hexanoic acid
SMILESCC(C)(C)OC(=O)NCCCCC(C(=O)O)C1CCOC1
InChIInChI=1S/C15H27NO5/c1-15(2,3)21-14(19)16-8-5-4-6-12(13(17)18)11-7-9-20-10-11/h11-12H,4-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyGEWJJDSNJLKCEV-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.42
Rot. Bonds7

About 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxolan-3-yl)hexanoic acid

6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxolan-3-yl)hexanoic acid (PubChem CID 165486598) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxolan-3-yl)hexanoic acid.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxolan-3-yl)hexanoic acid
PubChem CID165486598
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxolan-3-yl)hexanoic acid
SMILESCC(C)(C)OC(=O)NCCCCC(C(=O)O)C1CCOC1
InChIInChI=1S/C15H27NO5/c1-15(2,3)21-14(19)16-8-5-4-6-12(13(17)18)11-7-9-20-10-11/h11-12H,4-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyGEWJJDSNJLKCEV-UHFFFAOYSA-N
XLogP2.42
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 70184619
(2S)-2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 10586563
tert-butyl N-[[1-[amino(oxolan-3-yl)methyl]cyclopropyl]methyl]carbamate
CID 115050416
tert-butyl N-[4-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-4-oxobutyl]carbamate
CID 55603240
(2S)-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 167971322
(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 71518773
2-(tert-butylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 87355340
2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;ethane
CID 143611602
(2S)-2-amino-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 121233552
tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate
CID 115607413
2-(cyclopentanecarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 14181530
(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 141497187

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxolan-3-yl)hexanoic acid?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxolan-3-yl)hexanoic acid (CID 165486598) is 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxolan-3-yl)hexanoic acid.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxolan-3-yl)hexanoic acid?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxolan-3-yl)hexanoic acid is CC(C)(C)OC(=O)NCCCCC(C(=O)O)C1CCOC1.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxolan-3-yl)hexanoic acid?
The InChIKey is GEWJJDSNJLKCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c1-15(2,3)21-14(19)16-8-5-4-6-12(13(17)18)11-7-9-20-10-11/h11-12H,4-10H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxolan-3-yl)hexanoic acid?
6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxolan-3-yl)hexanoic acid has a molecular weight of 301.38 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxolan-3-yl)hexanoic acid is sourced from PubChem (CID 165486598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).