4,4-dimethyl-6-(1,2-oxazol-5-ylmethylamino)hexanoic acid

C12H20N2O3 — CID 65287088

IUPAC4,4-dimethyl-6-(1,2-oxazol-5-ylmethylamino)hexanoic acid
SMILESCC(C)(CCNCc1ccno1)CCC(=O)O
InChIInChI=1S/C12H20N2O3/c1-12(2,5-3-11(15)16)6-8-13-9-10-4-7-14-17-10/h4,7,13H,3,5-6,8-9H2,1-2H3,(H,15,16)
InChIKeyGSANTESCGMVCMC-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.05
Rot. Bonds8

About 4,4-dimethyl-6-(1,2-oxazol-5-ylmethylamino)hexanoic acid

4,4-dimethyl-6-(1,2-oxazol-5-ylmethylamino)hexanoic acid (PubChem CID 65287088) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4,4-dimethyl-6-(1,2-oxazol-5-ylmethylamino)hexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-(1,2-oxazol-5-ylmethylamino)hexanoic acid
PubChem CID65287088
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4,4-dimethyl-6-(1,2-oxazol-5-ylmethylamino)hexanoic acid
SMILESCC(C)(CCNCc1ccno1)CCC(=O)O
InChIInChI=1S/C12H20N2O3/c1-12(2,5-3-11(15)16)6-8-13-9-10-4-7-14-17-10/h4,7,13H,3,5-6,8-9H2,1-2H3,(H,15,16)
InChIKeyGSANTESCGMVCMC-UHFFFAOYSA-N
XLogP2.05
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.05
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-(1,2-oxazol-5-ylmethylamino)acetic acid
CID 43466227
6-[(4-ethylphenyl)methylamino]-4,4-dimethylhexanoic acid
CID 65287724
4,4-dimethyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]hexanoic acid
CID 65287090
6-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylhexanoic acid
CID 65287300
6-[(2-chlorophenyl)methylamino]-4,4-dimethylhexanoic acid
CID 65287822
4,4-dimethyl-6-[(1-methylimidazol-2-yl)methylamino]hexanoic acid
CID 65287582
6-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylhexanoic acid
CID 65287722
6-[(4-chloro-2-fluorophenyl)methylamino]-4,4-dimethylhexanoic acid
CID 114850982
1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
3,3,3-trifluoro-2-[(1,2-oxazol-5-ylmethylamino)methyl]propanoic acid
CID 106419760
6-[(4-chloro-3-fluorophenyl)methylamino]-4,4-dimethylhexanoic acid
CID 106468535
6-[(4-bromo-2-fluorophenyl)methylamino]-4,4-dimethylhexanoic acid
CID 65289422

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-(1,2-oxazol-5-ylmethylamino)hexanoic acid?
The IUPAC name of 4,4-dimethyl-6-(1,2-oxazol-5-ylmethylamino)hexanoic acid (CID 65287088) is 4,4-dimethyl-6-(1,2-oxazol-5-ylmethylamino)hexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-(1,2-oxazol-5-ylmethylamino)hexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-(1,2-oxazol-5-ylmethylamino)hexanoic acid is CC(C)(CCNCc1ccno1)CCC(=O)O.
What is the InChIKey of 4,4-dimethyl-6-(1,2-oxazol-5-ylmethylamino)hexanoic acid?
The InChIKey is GSANTESCGMVCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(2,5-3-11(15)16)6-8-13-9-10-4-7-14-17-10/h4,7,13H,3,5-6,8-9H2,1-2H3,(H,15,16).
What are the key properties of 4,4-dimethyl-6-(1,2-oxazol-5-ylmethylamino)hexanoic acid?
4,4-dimethyl-6-(1,2-oxazol-5-ylmethylamino)hexanoic acid has a molecular weight of 240.30 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-(1,2-oxazol-5-ylmethylamino)hexanoic acid is sourced from PubChem (CID 65287088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).